# This file is part of BurnMan - a thermoelastic and thermodynamic toolkit
# for the Earth and Planetary Sciences
# Copyright (C) 2012 - 2017 by the BurnMan team, released under the GNU
# GPL v2 or later.
"""
SLB_2011
^^^^^^^^
Minerals from Stixrude & Lithgow-Bertelloni 2011 and references therein.
File autogenerated using SLBdata_to_burnman.py.
"""
from __future__ import absolute_import
from ..classes.mineral import Mineral
from ..classes.solution import Solution
from ..classes.solutionmodel import *
from ..utils.chemistry import dictionarize_formula, formula_mass
'''
SOLID SOLUTIONS
from inv251010 of HeFESTo
'''
[docs]class c2c_pyroxene(Solution):
def __init__(self, molar_fractions=None):
self.name = 'C2/c pyroxene'
self.solution_type = 'ideal'
self.endmembers = [
[hp_clinoenstatite(), '[Mg]2Si2O6'], [hp_clinoferrosilite(), '[Fe]2Si2O6']]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class ca_ferrite_structured_phase(Solution):
def __init__(self, molar_fractions=None):
self.name = 'calcium ferrite structured phase'
self.solution_type = 'ideal'
self.endmembers = [[mg_ca_ferrite(), '[Mg]Al[Al]O4'], [
fe_ca_ferrite(), '[Fe]Al[Al]O4'], [na_ca_ferrite(), '[Na]Al[Si]O4']]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class clinopyroxene(Solution):
def __init__(self, molar_fractions=None):
self.name = 'clinopyroxene'
self.solution_type = 'asymmetric'
self.endmembers = [[diopside(), '[Ca][Mg][Si]2O6'], [hedenbergite(), '[Ca][Fe][Si]2O6'], [
clinoenstatite(), '[Mg][Mg][Si]2O6'], [ca_tschermaks(), '[Ca][Al][Si1/2Al1/2]2O6'], [jadeite(), '[Na][Al][Si]2O6']]
self.alphas = [1., 1., 1., 3.5, 1.]
self.energy_interaction = [
[0., 24.74e3, 26.e3, 24.3e3], [24.74e3, 0., 0.e3], [60.53136e3, 0.0], [10.e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class garnet(Solution):
def __init__(self, molar_fractions=None):
self.name = 'garnet'
self.solution_type = 'symmetric'
self.endmembers = [[pyrope(), '[Mg]3[Al][Al]Si3O12'], [almandine(), '[Fe]3[Al][Al]Si3O12'], [
grossular(), '[Ca]3[Al][Al]Si3O12'], [mg_majorite(), '[Mg]3[Mg][Si]Si3O12'], [jd_majorite(), '[Na2/3Al1/3]3[Al][Si]Si3O12']]
self.energy_interaction = [
[0.0, 30.e3, 21.20278e3, 0.0], [0.0, 0.0, 0.0], [57.77596e3, 0.0], [0.0]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class akimotoite(Solution):
def __init__(self, molar_fractions=None):
self.name = 'akimotoite/ilmenite'
self.solution_type = 'symmetric'
self.endmembers = [[mg_akimotoite(), '[Mg][Si]O3'], [
fe_akimotoite(), '[Fe][Si]O3'], [corundum(), '[Al][Al]O3']]
self.energy_interaction = [[0.0, 66.e3], [0.e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class ferropericlase(Solution):
def __init__(self, molar_fractions=None):
self.name = 'magnesiowustite/ferropericlase'
self.solution_type = 'symmetric'
self.endmembers = [[periclase(), '[Mg]O'], [wuestite(), '[Fe]O']]
self.energy_interaction = [[13.e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class mg_fe_olivine(Solution):
def __init__(self, molar_fractions=None):
self.name = 'olivine'
self.solution_type = 'symmetric'
self.endmembers = [[
forsterite(), '[Mg]2SiO4'], [fayalite(), '[Fe]2SiO4']]
self.energy_interaction = [[7.81322e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class orthopyroxene(Solution):
def __init__(self, molar_fractions=None):
self.name = 'orthopyroxene'
self.solution_type = 'symmetric'
self.endmembers = [[enstatite(), '[Mg][Mg]SiSiO6'],
[ferrosilite(), '[Fe][Fe]SiSiO6'],
[mg_tschermaks(), '[Mg][Al]AlSiO6'],
[ortho_diopside(), '[Ca][Mg]SiSiO6']] # Al avoidance, see Figure 3
self.energy_interaction = [
[0.0, 0.0, 32.11352e3], [0.0, 0.0], [48.35316e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class plagioclase(Solution):
def __init__(self, molar_fractions=None):
self.name = 'plagioclase'
self.solution_type = 'symmetric'
self.endmembers = [
[anorthite(), '[Ca][Al]2Si2O8'], [albite(), '[Na][Al1/2Si1/2]2Si2O8']]
self.energy_interaction = [[26.0e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class post_perovskite(Solution):
def __init__(self, molar_fractions=None):
self.name = 'post-perovskite/bridgmanite'
self.solution_type = 'symmetric'
self.endmembers = [[mg_post_perovskite(), '[Mg][Si]O3'],
[fe_post_perovskite(), '[Fe][Si]O3'],
[al_post_perovskite(), '[Al][Al]O3']]
self.energy_interaction = [[0.0, 60.0e3], [0.0]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class mg_fe_perovskite(Solution):
def __init__(self, molar_fractions=None):
self.name = 'magnesium silicate perovskite/bridgmanite'
self.solution_type = 'asymmetric'
self.endmembers = [[mg_perovskite(), '[Mg][Si]O3'],
[fe_perovskite(), '[Fe][Si]O3'],
[al_perovskite(), '[Al][Al]O3']]
self.energy_interaction = [[0.0, 116.0e3], [0.0]]
self.alphas = [1., 1., 0.39]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class mg_fe_ringwoodite(Solution):
def __init__(self, molar_fractions=None):
self.name = 'ringwoodite'
self.solution_type = 'symmetric'
self.endmembers = [
[mg_ringwoodite(), '[Mg]2SiO4'], [fe_ringwoodite(), '[Fe]2SiO4']]
self.energy_interaction = [[9.34084e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class mg_fe_aluminous_spinel(Solution):
def __init__(self, molar_fractions=None):
self.name = 'spinel-hercynite binary, fixed order'
self.solution_type = 'symmetric'
self.endmembers = [[spinel(), '[Mg3/4Al1/4]4[Al7/8Mg1/8]8O16'],
[hercynite(), '[Fe3/4Al1/4]4[Al7/8Fe1/8]8O16']]
self.energy_interaction = [[5.87646e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
[docs]class mg_fe_wadsleyite(Solution):
def __init__(self, molar_fractions=None):
self.name = 'wadsleyite'
self.solution_type = 'symmetric'
self.endmembers = [[mg_wadsleyite(), '[Mg]2SiO4'],
[fe_wadsleyite(), '[Fe]2SiO4']]
self.energy_interaction = [[16.74718e3]]
Solution.__init__(self, molar_fractions=molar_fractions)
"""
ENDMEMBERS
"""
[docs]class anorthite (Mineral):
def __init__(self):
formula = 'CaAl2Si2O8'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Anorthite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -4014619.0,
'V_0': 0.00010061,
'K_0': 84089150000.0,
'Kprime_0': 4.0,
'Debye_0': 752.3911,
'grueneisen_0': 0.39241,
'q_0': 1.0,
'G_0': 39900000000.0,
'Gprime_0': 1.09134,
'eta_s_0': 1.6254,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 4000.0,
'err_V_0': 0.0,
'err_K_0': 5000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 2.0,
'err_grueneisen_0': 0.05,
'err_q_0': 1.0,
'err_G_0': 3000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class albite (Mineral):
def __init__(self):
formula = 'NaAlSi3O8'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Albite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -3718799.0,
'V_0': 0.000100452,
'K_0': 59761620000.0,
'Kprime_0': 4.0,
'Debye_0': 713.7824,
'grueneisen_0': 0.56704,
'q_0': 1.0,
'G_0': 36000000000.0,
'Gprime_0': 1.3855,
'eta_s_0': 1.04208,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 5000.0,
'err_V_0': 0.0,
'err_K_0': 5000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 13.0,
'err_grueneisen_0': 0.03,
'err_q_0': 1.0,
'err_G_0': 5000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class spinel (Mineral):
def __init__(self):
formula = 'Mg4Al8O16'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Spinel',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -8667568.0,
'V_0': 0.000159048,
'K_0': 1.969428e+11,
'Kprime_0': 5.68282,
'Debye_0': 842.8104,
'grueneisen_0': 1.02283,
'q_0': 2.71208,
'G_0': 1.085e+11,
'Gprime_0': 0.37303,
'eta_s_0': 2.66282,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 43.76, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 32000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 33.0,
'err_grueneisen_0': 0.04,
'err_q_0': 0.6,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 0.6}
Mineral.__init__(self)
[docs]class hercynite (Mineral):
def __init__(self):
formula = 'Fe4Al8O16'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Hercynite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -7324009.0,
'V_0': 0.000163372,
'K_0': 2.088965e+11,
'Kprime_0': 5.68282,
'Debye_0': 763.231,
'grueneisen_0': 1.21719,
'q_0': 2.71208,
'G_0': 84500000000.0,
'Gprime_0': 0.37303,
'eta_s_0': 2.768,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 97.28, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 35000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 32.0,
'err_grueneisen_0': 0.07,
'err_q_0': 1.0,
'err_G_0': 13000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class forsterite (Mineral):
def __init__(self):
formula = 'Mg2SiO4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Forsterite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2055403.0,
'V_0': 4.3603e-05,
'K_0': 1.279555e+11,
'Kprime_0': 4.21796,
'Debye_0': 809.1703,
'grueneisen_0': 0.99282,
'q_0': 2.10672,
'G_0': 81599990000.0,
'Gprime_0': 1.46257,
'eta_s_0': 2.29972,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 1.0,
'err_grueneisen_0': 0.03,
'err_q_0': 0.2,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.1}
Mineral.__init__(self)
[docs]class fayalite (Mineral):
def __init__(self):
formula = 'Fe2SiO4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Fayalite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1370519.0,
'V_0': 4.629e-05,
'K_0': 1.349622e+11,
'Kprime_0': 4.21796,
'Debye_0': 618.7007,
'grueneisen_0': 1.06023,
'q_0': 3.6466,
'G_0': 50899990000.0,
'Gprime_0': 1.46257,
'eta_s_0': 1.02497,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 26.76, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 1000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 2.0,
'err_grueneisen_0': 0.07,
'err_q_0': 1.0,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 0.6}
Mineral.__init__(self)
[docs]class mg_wadsleyite (Mineral):
def __init__(self):
formula = 'Mg2SiO4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Mg_Wadsleyite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2027837.0,
'V_0': 4.0515e-05,
'K_0': 1.686948e+11,
'Kprime_0': 4.3229,
'Debye_0': 843.4973,
'grueneisen_0': 1.2061,
'q_0': 2.0188,
'G_0': 1.12e+11,
'Gprime_0': 1.44424,
'eta_s_0': 2.63683,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 3000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 7.0,
'err_grueneisen_0': 0.09,
'err_q_0': 1.0,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.2,
'err_eta_s_0': 0.4}
Mineral.__init__(self)
[docs]class fe_wadsleyite (Mineral):
def __init__(self):
formula = 'Fe2SiO4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Fe_Wadsleyite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1364668.0,
'V_0': 4.28e-05,
'K_0': 1.68591e+11,
'Kprime_0': 4.3229,
'Debye_0': 665.4492,
'grueneisen_0': 1.2061,
'q_0': 2.0188,
'G_0': 72000000000.0,
'Gprime_0': 1.44424,
'eta_s_0': 1.04017,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 26.76, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 7000.0,
'err_V_0': 0.0,
'err_K_0': 13000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 21.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 12000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class mg_ringwoodite (Mineral):
def __init__(self):
formula = 'Mg2SiO4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Mg_Ringwoodite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2017557.0,
'V_0': 3.9493e-05,
'K_0': 1.849009e+11,
'Kprime_0': 4.22035,
'Debye_0': 877.7094,
'grueneisen_0': 1.10791,
'q_0': 2.3914,
'G_0': 1.23e+11,
'Gprime_0': 1.35412,
'eta_s_0': 2.30461,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 8.0,
'err_grueneisen_0': 0.1,
'err_q_0': 0.4,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.5}
Mineral.__init__(self)
[docs]class fe_ringwoodite (Mineral):
def __init__(self):
formula = 'Fe2SiO4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Fe_Ringwoodite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1362772.0,
'V_0': 4.186e-05,
'K_0': 2.13412e+11,
'Kprime_0': 4.22035,
'Debye_0': 677.7177,
'grueneisen_0': 1.27193,
'q_0': 2.3914,
'G_0': 92000000000.0,
'Gprime_0': 1.35412,
'eta_s_0': 1.77249,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 26.76, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 7000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 8.0,
'err_grueneisen_0': 0.23,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class enstatite (Mineral):
def __init__(self):
formula = 'Mg2Si2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Enstatite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2913596.0,
'V_0': 6.2676e-05,
'K_0': 1.070768e+11,
'Kprime_0': 7.02751,
'Debye_0': 812.1848,
'grueneisen_0': 0.78479,
'q_0': 3.43846,
'G_0': 76800000000.0,
'Gprime_0': 1.54596,
'eta_s_0': 2.50453,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 0.4,
'err_Debye_0': 4.0,
'err_grueneisen_0': 0.04,
'err_q_0': 0.4,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.1}
Mineral.__init__(self)
[docs]class ferrosilite (Mineral):
def __init__(self):
formula = 'Fe2Si2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Ferrosilite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2225718.0,
'V_0': 6.5941e-05,
'K_0': 1.005386e+11,
'Kprime_0': 7.02751,
'Debye_0': 674.4769,
'grueneisen_0': 0.71889,
'q_0': 3.43846,
'G_0': 52000000000.0,
'Gprime_0': 1.54596,
'eta_s_0': 1.07706,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 26.76, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 4000.0,
'err_V_0': 0.0,
'err_K_0': 4000000000.0,
'err_K_prime_0': 0.5,
'err_Debye_0': 10.0,
'err_grueneisen_0': 0.08,
'err_q_0': 1.0,
'err_G_0': 5000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class mg_tschermaks (Mineral):
def __init__(self):
formula = 'MgAl2SiO6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Mg_Tschermaks',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -3002470.0,
'V_0': 5.914e-05,
'K_0': 1.070768e+11,
'Kprime_0': 7.02751,
'Debye_0': 783.8404,
'grueneisen_0': 0.78479,
'q_0': 3.43846,
'G_0': 95950860000.0,
'Gprime_0': 1.54596,
'eta_s_0': 2.49099,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 9000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 24.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class ortho_diopside (Mineral):
def __init__(self):
formula = 'CaMgSi2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Ortho_Diopside',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -3015827.0,
'V_0': 6.8054e-05,
'K_0': 1.070768e+11,
'Kprime_0': 7.02751,
'Debye_0': 744.6988,
'grueneisen_0': 0.78479,
'q_0': 3.43846,
'G_0': 58458950000.0,
'Gprime_0': 1.54596,
'eta_s_0': 1.36161,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 3000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 9.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class diopside (Mineral):
def __init__(self):
formula = 'CaMgSi2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Diopside',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -3029531.0,
'V_0': 6.6039e-05,
'K_0': 1.122413e+11,
'Kprime_0': 5.23885,
'Debye_0': 781.6146,
'grueneisen_0': 0.95873,
'q_0': 1.52852,
'G_0': 67000000000.0,
'Gprime_0': 1.37293,
'eta_s_0': 1.57351,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 5000000000.0,
'err_K_prime_0': 1.8,
'err_Debye_0': 3.0,
'err_grueneisen_0': 0.05,
'err_q_0': 2.0,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class hedenbergite (Mineral):
def __init__(self):
formula = 'CaFeSi2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Hedenbergite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2677330.0,
'V_0': 6.7867e-05,
'K_0': 1.192555e+11,
'Kprime_0': 5.23885,
'Debye_0': 701.5851,
'grueneisen_0': 0.93516,
'q_0': 1.52852,
'G_0': 61000000000.0,
'Gprime_0': 1.17647,
'eta_s_0': 1.5703,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 13.38, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 45000.0,
'err_V_0': 0.0,
'err_K_0': 4000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 2.0,
'err_grueneisen_0': 0.06,
'err_q_0': 1.0,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class clinoenstatite (Mineral):
def __init__(self):
formula = 'Mg2Si2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Clinoenstatite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2905918.0,
'V_0': 6.25e-05,
'K_0': 1.122413e+11,
'Kprime_0': 5.23885,
'Debye_0': 805.0547,
'grueneisen_0': 0.95873,
'q_0': 1.52852,
'G_0': 79496860000.0,
'Gprime_0': 1.62901,
'eta_s_0': 1.69074,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 3000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 10.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class ca_tschermaks (Mineral):
def __init__(self):
formula = 'CaAl2SiO6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Ca_Tschermaks',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -3120253.0,
'V_0': 6.3574e-05,
'K_0': 1.122413e+11,
'Kprime_0': 5.23885,
'Debye_0': 803.6626,
'grueneisen_0': 0.78126,
'q_0': 1.52852,
'G_0': 75160660000.0,
'Gprime_0': 1.54016,
'eta_s_0': 1.9672,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 11.525, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 5000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 5.0,
'err_grueneisen_0': 0.0,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class jadeite (Mineral):
def __init__(self):
formula = 'NaAlSi2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Jadeite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2855192.0,
'V_0': 6.0508e-05,
'K_0': 1.422873e+11,
'Kprime_0': 5.23885,
'Debye_0': 820.7623,
'grueneisen_0': 0.903,
'q_0': 0.39234,
'G_0': 85000000000.0,
'Gprime_0': 1.37398,
'eta_s_0': 2.18453,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 3000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 12.0,
'err_grueneisen_0': 0.08,
'err_q_0': 1.4,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class hp_clinoenstatite (Mineral):
def __init__(self):
formula = 'Mg2Si2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'HP_Clinoenstatite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2905788.0,
'V_0': 6.076e-05,
'K_0': 1.160254e+11,
'Kprime_0': 6.23685,
'Debye_0': 824.4439,
'grueneisen_0': 1.12473,
'q_0': 0.20401,
'G_0': 87927170000.0,
'Gprime_0': 1.84119,
'eta_s_0': 2.14181,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 3000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.3,
'err_Debye_0': 7.0,
'err_grueneisen_0': 0.05,
'err_q_0': 0.5,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.5}
Mineral.__init__(self)
[docs]class hp_clinoferrosilite (Mineral):
def __init__(self):
formula = 'Fe2Si2O6'
formula = dictionarize_formula(formula)
self.params = {
'name': 'HP_Clinoferrosilite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2222183.0,
'V_0': 6.385413e-05,
'K_0': 1.160254e+11,
'Kprime_0': 6.23685,
'Debye_0': 691.564,
'grueneisen_0': 1.12473,
'q_0': 0.20401,
'G_0': 70623090000.0,
'Gprime_0': 1.84119,
'eta_s_0': 0.79216,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 26.76, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 4000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 11.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class ca_perovskite (Mineral):
def __init__(self):
formula = 'CaSiO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Ca_Perovskite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1463358.0,
'V_0': 2.745e-05,
'K_0': 2.36e+11,
'Kprime_0': 3.9,
'Debye_0': 795.779,
'grueneisen_0': 1.88839,
'q_0': 0.89769,
'G_0': 1.568315e+11,
'Gprime_0': 2.22713,
'eta_s_0': 1.28818,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 8000.0,
'err_V_0': 0.0,
'err_K_0': 4000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 44.0,
'err_grueneisen_0': 0.07,
'err_q_0': 1.6,
'err_G_0': 12000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class mg_akimotoite (Mineral):
def __init__(self):
formula = 'MgSiO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Mg_Akimotoite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1410850.0,
'V_0': 2.6354e-05,
'K_0': 2.10706e+11,
'Kprime_0': 5.62088,
'Debye_0': 935.9778,
'grueneisen_0': 1.18984,
'q_0': 2.34514,
'G_0': 1.32e+11,
'Gprime_0': 1.57889,
'eta_s_0': 2.80782,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 4000000000.0,
'err_K_prime_0': 0.8,
'err_Debye_0': 12.0,
'err_grueneisen_0': 0.13,
'err_q_0': 0.8,
'err_G_0': 8000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class fe_akimotoite (Mineral):
def __init__(self):
formula = 'FeSiO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Fe_Akimotoite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1067598.0,
'V_0': 2.6854e-05,
'K_0': 2.10706e+11,
'Kprime_0': 5.62088,
'Debye_0': 887.8709,
'grueneisen_0': 1.18984,
'q_0': 2.34514,
'G_0': 1.523046e+11,
'Gprime_0': 1.57889,
'eta_s_0': 3.5716,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 13.38, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 21000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 120.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class corundum (Mineral):
def __init__(self):
formula = 'AlAlO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Corundum',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1582454.0,
'V_0': 2.5577e-05,
'K_0': 2.525457e+11,
'Kprime_0': 4.33728,
'Debye_0': 932.5696,
'grueneisen_0': 1.32442,
'q_0': 1.30316,
'G_0': 1.632e+11,
'Gprime_0': 1.64174,
'eta_s_0': 2.8316,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 1000.0,
'err_V_0': 0.0,
'err_K_0': 5000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 3.0,
'err_grueneisen_0': 0.04,
'err_q_0': 0.2,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.2}
Mineral.__init__(self)
[docs]class pyrope (Mineral):
def __init__(self):
formula = 'Mg3Al2Si3O12'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Pyrope',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -5936538.0,
'V_0': 0.00011308,
'K_0': 1.702396e+11,
'Kprime_0': 4.11067,
'Debye_0': 823.2102,
'grueneisen_0': 1.01424,
'q_0': 1.42169,
'G_0': 93699990000.0,
'Gprime_0': 1.35756,
'eta_s_0': 0.98186,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 10000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 0.3,
'err_Debye_0': 4.0,
'err_grueneisen_0': 0.06,
'err_q_0': 0.5,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.2,
'err_eta_s_0': 0.3}
Mineral.__init__(self)
[docs]class almandine (Mineral):
def __init__(self):
formula = 'Fe3Al2Si3O12'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Almandine',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -4935516.0,
'V_0': 0.00011543,
'K_0': 1.738963e+11,
'Kprime_0': 4.91341,
'Debye_0': 741.356,
'grueneisen_0': 1.06495,
'q_0': 1.42169,
'G_0': 96000000000.0,
'Gprime_0': 1.40927,
'eta_s_0': 2.09292,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 40.14, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 29000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 5.0,
'err_grueneisen_0': 0.06,
'err_q_0': 1.0,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class grossular (Mineral):
def __init__(self):
formula = 'Ca3Al2Si3O12'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Grossular',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -6277935.0,
'V_0': 0.00012512,
'K_0': 1.670622e+11,
'Kprime_0': 3.91544,
'Debye_0': 822.743,
'grueneisen_0': 1.05404,
'q_0': 1.88887,
'G_0': 1.09e+11,
'Gprime_0': 1.16274,
'eta_s_0': 2.38418,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 11000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 2.0,
'err_grueneisen_0': 0.06,
'err_q_0': 0.2,
'err_G_0': 4000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.1}
Mineral.__init__(self)
[docs]class mg_majorite (Mineral):
def __init__(self):
formula = 'Mg4Si4O12'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Mg_Majorite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -5691614.0,
'V_0': 0.000114324,
'K_0': 1.651183e+11,
'Kprime_0': 4.21183,
'Debye_0': 822.458,
'grueneisen_0': 0.97682,
'q_0': 1.53581,
'G_0': 84999990000.0,
'Gprime_0': 1.42969,
'eta_s_0': 1.0178,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 10000.0,
'err_V_0': 0.0,
'err_K_0': 3000000000.0,
'err_K_prime_0': 0.3,
'err_Debye_0': 4.0,
'err_grueneisen_0': 0.07,
'err_q_0': 0.5,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.2,
'err_eta_s_0': 0.3}
Mineral.__init__(self)
[docs]class jd_majorite (Mineral):
def __init__(self):
formula = 'Na2Al2Si4O12'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Jd_Majorite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -5518542.0,
'V_0': 0.00011094,
'K_0': 1.770772e+11,
'Kprime_0': 4.11067,
'Debye_0': 895.914,
'grueneisen_0': 1.01424,
'q_0': 1.42169,
'G_0': 1.25e+11,
'Gprime_0': 1.35756,
'eta_s_0': 3.30517,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 14000.0,
'err_V_0': 0.0,
'err_K_0': 7000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 18.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 4000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class quartz (Mineral):
def __init__(self):
formula = 'SiO2'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Quartz',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -858853.4,
'V_0': 2.367003e-05,
'K_0': 49547430000.0,
'Kprime_0': 4.33155,
'Debye_0': 816.3307,
'grueneisen_0': -0.00296,
'q_0': 1.0,
'G_0': 44856170000.0,
'Gprime_0': 0.95315,
'eta_s_0': 2.36469,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['landau', {'Tc_0': 847.0, 'S_D': 5.164, 'V_D': 1.222e-06}]]
self.uncertainties = {
'err_F_0': 1000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.1,
'err_Debye_0': 31.0,
'err_grueneisen_0': 0.05,
'err_q_0': 1.0,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class coesite (Mineral):
def __init__(self):
formula = 'SiO2'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Coesite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -855068.5,
'V_0': 2.0657e-05,
'K_0': 1.135856e+11,
'Kprime_0': 4.0,
'Debye_0': 852.4267,
'grueneisen_0': 0.39157,
'q_0': 1.0,
'G_0': 61600010000.0,
'Gprime_0': 1.24734,
'eta_s_0': 2.39793,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 1000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 9.0,
'err_grueneisen_0': 0.05,
'err_q_0': 1.0,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class stishovite (Mineral):
def __init__(self):
formula = 'SiO2'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Stishovite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -818984.6,
'V_0': 1.4017e-05,
'K_0': 3.143352e+11,
'Kprime_0': 3.75122,
'Debye_0': 1107.824,
'grueneisen_0': 1.37466,
'q_0': 2.83517,
'G_0': 2.2e+11,
'Gprime_0': 1.93334,
'eta_s_0': 4.60904,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['landau', {'Tc_0': -4250.0, 'S_D': 0.012, 'V_D': 1e-09}]]
self.uncertainties = {
'err_F_0': 1000.0,
'err_V_0': 0.0,
'err_K_0': 8000000000.0,
'err_K_prime_0': 0.1,
'err_Debye_0': 13.0,
'err_grueneisen_0': 0.17,
'err_q_0': 2.2,
'err_G_0': 12000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class seifertite (Mineral):
def __init__(self):
formula = 'SiO2'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Seifertite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -794335.4,
'V_0': 1.367e-05,
'K_0': 3.275843e+11,
'Kprime_0': 4.01553,
'Debye_0': 1140.772,
'grueneisen_0': 1.37466,
'q_0': 2.83517,
'G_0': 2.274532e+11,
'Gprime_0': 1.76965,
'eta_s_0': 4.97108,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 2000000000.0,
'err_K_prime_0': 0.1,
'err_Debye_0': 16.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class mg_perovskite (Mineral):
def __init__(self):
formula = 'MgSiO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Mg_Perovskite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1368283.0,
'V_0': 2.4445e-05,
'K_0': 2.505264e+11,
'Kprime_0': 4.14,
'Debye_0': 905.9412,
'grueneisen_0': 1.56508,
'q_0': 1.10945,
'G_0': 1.729e+11,
'Gprime_0': 1.69037,
'eta_s_0': 2.56536,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 1000.0,
'err_V_0': 0.0,
'err_K_0': 3000000000.0,
'err_K_prime_0': 0.1,
'err_Debye_0': 5.0,
'err_grueneisen_0': 0.05,
'err_q_0': 0.3,
'err_G_0': 2000000000.0,
'err_Gprime_0': 0.0,
'err_eta_s_0': 0.3}
Mineral.__init__(self)
[docs]class fe_perovskite (Mineral):
def __init__(self):
formula = 'FeSiO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Fe_Perovskite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1040920.0,
'V_0': 2.5485e-05,
'K_0': 2.721152e+11,
'Kprime_0': 4.14,
'Debye_0': 870.8122,
'grueneisen_0': 1.56508,
'q_0': 1.10945,
'G_0': 1.326849e+11,
'Gprime_0': 1.37485,
'eta_s_0': 2.29211,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 13.38, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 6000.0,
'err_V_0': 0.0,
'err_K_0': 40000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 26.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 40000000000.0,
'err_Gprime_0': 0.0,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class al_perovskite (Mineral):
def __init__(self):
formula = 'AlAlO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Al_perovskite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1533878.0,
'V_0': 2.4944e-05,
'K_0': 2.582e+11,
'Kprime_0': 4.14,
'Debye_0': 886.4601,
'grueneisen_0': 1.56508,
'q_0': 1.10945,
'G_0': 1.713116e+11,
'Gprime_0': 1.49706,
'eta_s_0': 2.47126,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 2000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 0.5,
'err_Debye_0': 7.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.5}
Mineral.__init__(self)
[docs]class mg_post_perovskite (Mineral):
def __init__(self):
formula = 'MgSiO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Mg_Post_Perovskite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1348641.0,
'V_0': 2.4419e-05,
'K_0': 2.312e+11,
'Kprime_0': 4.0,
'Debye_0': 855.8173,
'grueneisen_0': 1.89155,
'q_0': 1.09081,
'G_0': 1.50167e+11,
'Gprime_0': 1.97874,
'eta_s_0': 1.16704,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 3000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.1,
'err_Debye_0': 7.0,
'err_grueneisen_0': 0.03,
'err_q_0': 0.1,
'err_G_0': 4000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.2}
Mineral.__init__(self)
[docs]class fe_post_perovskite (Mineral):
def __init__(self):
formula = 'FeSiO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Fe_Post_Perovskite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -981806.9,
'V_0': 2.5459e-05,
'K_0': 2.312e+11,
'Kprime_0': 4.0,
'Debye_0': 781.3465,
'grueneisen_0': 1.89155,
'q_0': 1.09081,
'G_0': 1.295e+11,
'Gprime_0': 1.44675,
'eta_s_0': 1.36382,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 13.38, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 21000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 52.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 5000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class al_post_perovskite (Mineral):
def __init__(self):
formula = 'AlAlO3'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Al_Post_Perovskite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1377582.0,
'V_0': 2.3847e-05,
'K_0': 2.49e+11,
'Kprime_0': 4.0,
'Debye_0': 762.1951,
'grueneisen_0': 1.64573,
'q_0': 1.09081,
'G_0': 91965310000.0,
'Gprime_0': 1.81603,
'eta_s_0': 2.83762,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 4000.0,
'err_V_0': 0.0,
'err_K_0': 20000000000.0,
'err_K_prime_0': 0.1,
'err_Debye_0': 9.0,
'err_grueneisen_0': 0.02,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.2}
Mineral.__init__(self)
[docs]class periclase (Mineral):
def __init__(self):
formula = 'MgO'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Periclase',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -569444.6,
'V_0': 1.1244e-05,
'K_0': 1.613836e+11,
'Kprime_0': 3.84045,
'Debye_0': 767.0977,
'grueneisen_0': 1.36127,
'q_0': 1.7217,
'G_0': 1.309e+11,
'Gprime_0': 2.1438,
'eta_s_0': 2.81765,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 0.0,
'err_V_0': 0.0,
'err_K_0': 3000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 9.0,
'err_grueneisen_0': 0.05,
'err_q_0': 0.2,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 0.2}
Mineral.__init__(self)
[docs]class wuestite (Mineral):
def __init__(self):
formula = 'FeO'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Wuestite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -242146.0,
'V_0': 1.2264e-05,
'K_0': 1.794442e+11,
'Kprime_0': 4.9376,
'Debye_0': 454.1592,
'grueneisen_0': 1.53047,
'q_0': 1.7217,
'G_0': 59000000000.0,
'Gprime_0': 1.44673,
'eta_s_0': -0.05731,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 13.38, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 1000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.2,
'err_Debye_0': 21.0,
'err_grueneisen_0': 0.13,
'err_q_0': 1.0,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class mg_ca_ferrite (Mineral):
def __init__(self):
formula = 'MgAl2O4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Mg_Ca_Ferrite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2122169.0,
'V_0': 3.6177e-05,
'K_0': 2.106663e+11,
'Kprime_0': 4.0528,
'Debye_0': 838.6291,
'grueneisen_0': 1.31156,
'q_0': 1.0,
'G_0': 1.29826e+11,
'Gprime_0': 1.75878,
'eta_s_0': 2.1073,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 4000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.1,
'err_Debye_0': 16.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class fe_ca_ferrite (Mineral):
def __init__(self):
formula = 'FeAl2O4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Fe_Ca_Ferrite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1790284.0,
'V_0': 3.7258e-05,
'K_0': 2.106663e+11,
'Kprime_0': 4.0528,
'Debye_0': 804.1986,
'grueneisen_0': 1.31156,
'q_0': 1.0,
'G_0': 1.535236e+11,
'Gprime_0': 1.75878,
'eta_s_0': 3.0268,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.property_modifiers = [
['linear', {'delta_E': 0.0, 'delta_S': 13.38, 'delta_V': 0.0}]]
self.uncertainties = {
'err_F_0': 25000.0,
'err_V_0': 0.0,
'err_K_0': 10000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 69.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class na_ca_ferrite (Mineral):
def __init__(self):
formula = 'NaAlSiO4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Na_Ca_Ferrite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1844129.0,
'V_0': 3.627e-05,
'K_0': 1.613385e+11,
'Kprime_0': 4.32479,
'Debye_0': 812.4769,
'grueneisen_0': 0.69428,
'q_0': 1.0,
'G_0': 1.220049e+11,
'Gprime_0': 2.07687,
'eta_s_0': 2.79016,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 11000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.1,
'err_Debye_0': 51.0,
'err_grueneisen_0': 0.3,
'err_q_0': 1.0,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.1,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class kyanite (Mineral):
def __init__(self):
formula = 'Al2SiO5'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Kyanite',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -2446058.0,
'V_0': 4.4227e-05,
'K_0': 1.6e+11,
'Kprime_0': 4.0,
'Debye_0': 943.1665,
'grueneisen_0': 0.9255,
'q_0': 1.0,
'G_0': 1.204033e+11,
'Gprime_0': 1.7308,
'eta_s_0': 2.96665,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 4000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 0.0,
'err_Debye_0': 8.0,
'err_grueneisen_0': 0.07,
'err_q_0': 1.0,
'err_G_0': 10000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
[docs]class nepheline (Mineral):
def __init__(self):
formula = 'NaAlSiO4'
formula = dictionarize_formula(formula)
self.params = {
'name': 'Nepheline',
'formula': formula,
'equation_of_state': 'slb3',
'F_0': -1992104.0,
'V_0': 5.46684e-05,
'K_0': 53077990000.0,
'Kprime_0': 4.0,
'Debye_0': 700.9422,
'grueneisen_0': 0.69428,
'q_0': 1.0,
'G_0': 30700000000.0,
'Gprime_0': 1.33031,
'eta_s_0': 0.6291,
'n': sum(formula.values()),
'molar_mass': formula_mass(formula)}
self.uncertainties = {
'err_F_0': 3000.0,
'err_V_0': 0.0,
'err_K_0': 1000000000.0,
'err_K_prime_0': 1.0,
'err_Debye_0': 13.0,
'err_grueneisen_0': 0.03,
'err_q_0': 1.0,
'err_G_0': 1000000000.0,
'err_Gprime_0': 0.5,
'err_eta_s_0': 1.0}
Mineral.__init__(self)
'''
Mineral aliases
'''
# Feldspars
ab = albite
an = anorthite
# LP Spinels
sp = spinel
hc = hercynite
# Olivine polymorphs
fo = forsterite
fa = fayalite
mgwa = mg_wadsleyite
fewa = fe_wadsleyite
mgri = mg_ringwoodite
feri = fe_ringwoodite
# Orthopyroxenes
en = enstatite
fs = ferrosilite
mgts = mg_tschermaks
odi = ortho_diopside
# Clinopyroxenes
di = diopside
he = hedenbergite
cen = clinoenstatite
cats = ca_tschermaks
jd = jadeite
mgc2 = hp_clinoenstatite
fec2 = hp_clinoferrosilite
hpcen = hp_clinoenstatite
hpcfs = hp_clinoferrosilite
# Perovskites
mgpv = mg_perovskite
mg_bridgmanite = mg_perovskite
fepv = fe_perovskite
fe_bridgmanite = fe_perovskite
alpv = al_perovskite
capv = ca_perovskite
# Ilmenite group
mgil = mg_akimotoite
feil = fe_akimotoite
co = corundum
# Garnet group
py = pyrope
al = almandine
gr = grossular
mgmj = mg_majorite
jdmj = jd_majorite
# Quartz polymorphs
qtz = quartz
coes = coesite
st = stishovite
seif = seifertite
# Post perovskites
mppv = mg_post_perovskite
fppv = fe_post_perovskite
appv = al_post_perovskite
# Magnesiowuestite
pe = periclase
wu = wuestite
# Calcium ferrite structured phases
mgcf = mg_ca_ferrite
fecf = fe_ca_ferrite
nacf = na_ca_ferrite
# Al2SiO5 polymorphs
ky = kyanite
# Nepheline group
neph = nepheline
# Solid solution aliases
c2c = c2c_pyroxene
cf = ca_ferrite_structured_phase
cpx = clinopyroxene
gt = garnet
il = akimotoite
ilmenite_group = akimotoite
mw = ferropericlase
magnesiowuestite = ferropericlase
ol = mg_fe_olivine
opx = orthopyroxene
plag = plagioclase
ppv = post_perovskite
pv = mg_fe_perovskite
mg_fe_bridgmanite = mg_fe_perovskite
mg_fe_silicate_perovskite = mg_fe_perovskite
ri = mg_fe_ringwoodite
spinel_group = mg_fe_aluminous_spinel
wa = mg_fe_wadsleyite
spinelloid_III = mg_fe_wadsleyite