/
SLB_2022.py
1950 lines (1679 loc) · 52.2 KB
/
SLB_2022.py
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# This file is part of BurnMan - a thermoelastic and thermodynamic toolkit
# for the Earth and Planetary Sciences
# Copyright (C) 2012 - 2023 by the BurnMan team,
# released under the GNU GPL v2 or later.
"""
SLB_2022
Minerals from Stixrude & Lithgow-Bertelloni 2022 and references therein
File autogenerated using HeFESTO_to_burnman.py and HeFESTo_parameters_010121
"""
from __future__ import absolute_import
from ..classes.mineral import Mineral
from ..classes.solution import Solution
from ..classes.solutionmodel import (
IdealSolution,
SymmetricRegularSolution,
AsymmetricRegularSolution,
)
"""
ENDMEMBERS
"""
class ab(Mineral):
def __init__(self):
self.params = {
"name": "Albite",
"formula": {"Na": 1.0, "Al": 1.0, "Si": 3.0, "O": 8.0},
"equation_of_state": "slb3",
"F_0": -3720147.5999999996,
"V_0": 0.000100452,
"K_0": 59752680000.0,
"Kprime_0": 2.77841,
"Debye_0": 720.00359,
"grueneisen_0": 0.57885,
"q_0": 1.0,
"G_0": 36000000000.0,
"Gprime_0": 1.38571,
"eta_s_0": 1.02978,
"n": 13.0,
"Z": 4.0,
"molar_mass": 0.262223,
}
Mineral.__init__(self)
class al(Mineral):
def __init__(self):
self.params = {
"name": "Almandine",
"formula": {"Fe": 3.0, "Al": 2.0, "Si": 3.0, "O": 12.0},
"equation_of_state": "slb3",
"F_0": -4933027.97,
"V_0": 0.00011543,
"K_0": 173896370000.0,
"Kprime_0": 4.91341,
"Debye_0": 741.38227,
"grueneisen_0": 1.06493,
"q_0": 1.42169,
"G_0": 96000000000.0,
"Gprime_0": 1.40927,
"eta_s_0": 2.09289,
"n": 20.0,
"Z": 4.0,
"molar_mass": 0.49776,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 7.5, "S_D": 40.14405, "V_D": 0.0}]
]
Mineral.__init__(self)
class alpv(Mineral):
def __init__(self):
self.params = {
"name": "Al-Perovskite",
"formula": {"Al": 2.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -1517728.6300000001,
"V_0": 2.4944e-05,
"K_0": 242400000000.0,
"Kprime_0": 4.1,
"Debye_0": 858.26509,
"grueneisen_0": 1.54222,
"q_0": 0.84088,
"G_0": 169199620000.0,
"Gprime_0": 1.55703,
"eta_s_0": 2.2751,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.101961,
}
Mineral.__init__(self)
class an(Mineral):
def __init__(self):
self.params = {
"name": "Anorthite",
"formula": {"Ca": 1.0, "Al": 2.0, "Si": 2.0, "O": 8.0},
"equation_of_state": "slb3",
"F_0": -4013369.04,
"V_0": 0.00010061,
"K_0": 84093310000.0,
"Kprime_0": 6.73404,
"Debye_0": 752.34537,
"grueneisen_0": 0.38497,
"q_0": 1.0,
"G_0": 39900000000.0,
"Gprime_0": 1.09129,
"eta_s_0": 1.63323,
"n": 13.0,
"Z": 2.0,
"molar_mass": 0.278211,
}
Mineral.__init__(self)
class anao(Mineral):
def __init__(self):
self.params = {
"name": "alpha-NaO2_phase",
"formula": {"Na": 2.0, "Al": 2.0, "O": 4.0},
"equation_of_state": "slb3",
"F_0": -2114835.79,
"V_0": 4.542e-05,
"K_0": 161143930000.0,
"Kprime_0": 3.90838,
"Debye_0": 753.49641,
"grueneisen_0": 1.45033,
"q_0": 1.5487,
"G_0": 108455900000.0,
"Gprime_0": 2.14668,
"eta_s_0": 0.78047,
"n": 8.0,
"Z": 1.0,
"molar_mass": 0.16394023,
}
Mineral.__init__(self)
class apbo(Mineral):
def __init__(self):
self.params = {
"name": "alpha-PbO_2-SiO_2",
"formula": {"Si": 1.0, "O": 2.0},
"equation_of_state": "slb3",
"F_0": -793366.84,
"V_0": 1.367e-05,
"K_0": 327156010000.0,
"Kprime_0": 4.01662,
"Debye_0": 1128.9459,
"grueneisen_0": 1.55674,
"q_0": 2.2096,
"G_0": 227411590000.0,
"Gprime_0": 1.77078,
"eta_s_0": 4.55828,
"n": 3.0,
"Z": 4.0,
"molar_mass": 0.060085,
}
Mineral.__init__(self)
class appv(Mineral):
def __init__(self):
self.params = {
"name": "Al-Post-Perovskite",
"formula": {"Al": 2.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -1336464.73,
"V_0": 2.3847e-05,
"K_0": 249000000000.0,
"Kprime_0": 4.0,
"Debye_0": 722.93835,
"grueneisen_0": 1.88758,
"q_0": 2.04631,
"G_0": 91965260000.0,
"Gprime_0": 1.81603,
"eta_s_0": 2.52605,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.101961,
}
Mineral.__init__(self)
class capv(Mineral):
def __init__(self):
self.params = {
"name": "Ca-Perovskite",
"formula": {"Ca": 1.0, "Si": 1.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -1459910.1800000002,
"V_0": 2.745e-05,
"K_0": 236000000000.0,
"Kprime_0": 3.9,
"Debye_0": 798.78581,
"grueneisen_0": 1.88943,
"q_0": 0.89662,
"G_0": 155205240000.0,
"Gprime_0": 2.22637,
"eta_s_0": 1.23493,
"n": 5.0,
"Z": 1.0,
"molar_mass": 0.116164,
}
Mineral.__init__(self)
class cats(Mineral):
def __init__(self):
self.params = {
"name": "Lime_Tschermak'",
"formula": {"Ca": 1.0, "Al": 2.0, "Si": 1.0, "O": 6.0},
"equation_of_state": "slb3",
"F_0": -3119447.41,
"V_0": 6.3574e-05,
"K_0": 113759900000.0,
"Kprime_0": 4.8061,
"Debye_0": 804.36068,
"grueneisen_0": 0.82288,
"q_0": 0.60142,
"G_0": 74424990000.0,
"Gprime_0": 1.71384,
"eta_s_0": 1.73383,
"n": 10.0,
"Z": 1.0,
"molar_mass": 0.218123,
}
Mineral.__init__(self)
class cen(Mineral):
def __init__(self):
self.params = {
"name": "Clinoenstatite",
"formula": {"Mg": 2.0, "Si": 2.0, "O": 6.0},
"equation_of_state": "slb3",
"F_0": -2906835.53,
"V_0": 6.25e-05,
"K_0": 113759900000.0,
"Kprime_0": 4.8061,
"Debye_0": 806.64315,
"grueneisen_0": 1.00921,
"q_0": 0.60142,
"G_0": 76970360000.0,
"Gprime_0": 1.71384,
"eta_s_0": 1.43121,
"n": 10.0,
"Z": 1.0,
"molar_mass": 0.2007774,
}
Mineral.__init__(self)
class co(Mineral):
def __init__(self):
self.params = {
"name": "Corundum",
"formula": {"Al": 2.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -1582440.3199999998,
"V_0": 2.5577e-05,
"K_0": 252585720000.0,
"Kprime_0": 3.88671,
"Debye_0": 932.21586,
"grueneisen_0": 1.3081,
"q_0": 1.71245,
"G_0": 163200000000.0,
"Gprime_0": 1.81492,
"eta_s_0": 2.63052,
"n": 5.0,
"Z": 2.0,
"molar_mass": 0.101961,
}
Mineral.__init__(self)
class coes(Mineral):
def __init__(self):
self.params = {
"name": "Coesite",
"formula": {"Si": 1.0, "O": 2.0},
"equation_of_state": "slb3",
"F_0": -856110.36,
"V_0": 2.0657e-05,
"K_0": 103538150000.0,
"Kprime_0": 2.9007,
"Debye_0": 880.23946,
"grueneisen_0": 0.29064,
"q_0": 1.0,
"G_0": 61600000000.0,
"Gprime_0": 0.49686,
"eta_s_0": 2.75988,
"n": 3.0,
"Z": 16.0,
"molar_mass": 0.060085,
}
Mineral.__init__(self)
class crst(Mineral):
def __init__(self):
self.params = {
"name": "Cristobalite",
"formula": {"Si": 1.0, "O": 2.0},
"equation_of_state": "slb3",
"F_0": -852539.43,
"V_0": 2.72397e-05,
"K_0": 11500000000.0,
"Kprime_0": 9.0,
"Debye_0": 794.74452,
"grueneisen_0": 0.01515,
"q_0": 1.0,
"G_0": 20327540000.0,
"Gprime_0": 4.06551,
"eta_s_0": 1.17003,
"n": 3.0,
"Z": 16.0,
"molar_mass": 0.060085,
}
Mineral.__init__(self)
class di(Mineral):
def __init__(self):
self.params = {
"name": "Diopside",
"formula": {"Ca": 1.0, "Mg": 1.0, "Si": 2.0, "O": 6.0},
"equation_of_state": "slb3",
"F_0": -3029608.3800000004,
"V_0": 6.6039e-05,
"K_0": 113759900000.0,
"Kprime_0": 4.8061,
"Debye_0": 782.57306,
"grueneisen_0": 1.00921,
"q_0": 0.60142,
"G_0": 72700000000.0,
"Gprime_0": 1.71384,
"eta_s_0": 1.06175,
"n": 10.0,
"Z": 1.0,
"molar_mass": 0.2165504,
}
Mineral.__init__(self)
class en(Mineral):
def __init__(self):
self.params = {
"name": "Enstatite",
"formula": {"Mg": 2.0, "Si": 2.0, "O": 6.0},
"equation_of_state": "slb3",
"F_0": -2914163.5999999996,
"V_0": 6.2676e-05,
"K_0": 107076810000.0,
"Kprime_0": 7.02751,
"Debye_0": 812.21227,
"grueneisen_0": 0.78477,
"q_0": 3.43847,
"G_0": 76800000000.0,
"Gprime_0": 1.54596,
"eta_s_0": 2.5045,
"n": 10.0,
"Z": 4.0,
"molar_mass": 0.2007774,
}
Mineral.__init__(self)
class fa(Mineral):
def __init__(self):
self.params = {
"name": "Fayalite",
"formula": {"Fe": 2.0, "Si": 1.0, "O": 4.0},
"equation_of_state": "slb3",
"F_0": -1371695.6600000001,
"V_0": 4.629e-05,
"K_0": 136485580000.0,
"Kprime_0": 4.88157,
"Debye_0": 618.96116,
"grueneisen_0": 1.08388,
"q_0": 2.88055,
"G_0": 51220000000.0,
"Gprime_0": 0.85893,
"eta_s_0": 1.65937,
"n": 7.0,
"Z": 4.0,
"molar_mass": 0.203777,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 65.0, "S_D": 26.7627, "V_D": 0.0}]
]
Mineral.__init__(self)
class fapv(Mineral):
def __init__(self):
self.params = {
"name": "FeAlO3-Perovskite_HS",
"formula": {"Fe": 1.0, "Al": 1.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -848315.02,
"V_0": 2.72604e-05,
"K_0": 223325500000.0,
"Kprime_0": 4.1,
"Debye_0": 755.38117,
"grueneisen_0": 1.54222,
"q_0": 0.84088,
"G_0": 150042090000.0,
"Gprime_0": 1.73259,
"eta_s_0": 2.55505,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.1308249,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 10.0, "S_D": 14.89723, "V_D": 0.0}]
]
Mineral.__init__(self)
class fec2(Mineral):
def __init__(self):
self.params = {
"name": "HP-Clinoferrosilite",
"formula": {"Fe": 2.0, "Si": 2.0, "O": 6.0},
"equation_of_state": "slb3",
"F_0": -2224211.0,
"V_0": 6.38541e-05,
"K_0": 116024900000.0,
"Kprime_0": 6.23682,
"Debye_0": 698.72086,
"grueneisen_0": 1.12442,
"q_0": 0.20362,
"G_0": 75147210000.0,
"Gprime_0": 1.8412,
"eta_s_0": 0.98031,
"n": 10.0,
"Z": 1.0,
"molar_mass": 0.2638614,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 26.7627, "V_D": 0.0}]
]
Mineral.__init__(self)
class fecf(Mineral):
def __init__(self):
self.params = {
"name": "Fe-Ca-Ferrite",
"formula": {"Fe": 1.0, "Al": 2.0, "O": 4.0},
"equation_of_state": "slb3",
"F_0": -1774197.05,
"V_0": 3.7216e-05,
"K_0": 213000000000.0,
"Kprime_0": 4.1,
"Debye_0": 734.07527,
"grueneisen_0": 1.56672,
"q_0": 1.0,
"G_0": 159709650000.0,
"Gprime_0": 1.93591,
"eta_s_0": 2.34163,
"n": 7.0,
"Z": 4.0,
"molar_mass": 0.173806,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 13.38135, "V_D": 0.0}]
]
Mineral.__init__(self)
class feil(Mineral):
def __init__(self):
self.params = {
"name": "Fe-Akimotoite",
"formula": {"Fe": 1.0, "Si": 1.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -1047531.34,
"V_0": 2.6854e-05,
"K_0": 210693870000.0,
"Kprime_0": 5.2154,
"Debye_0": 781.36175,
"grueneisen_0": 1.19458,
"q_0": 2.2246,
"G_0": 160833570000.0,
"Gprime_0": 1.81492,
"eta_s_0": 3.43813,
"n": 5.0,
"Z": 2.0,
"molar_mass": 0.131931,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 13.38135, "V_D": 0.0}]
]
Mineral.__init__(self)
class fepv(Mineral):
def __init__(self):
self.params = {
"name": "Fe-Perovskite",
"formula": {"Fe": 1.0, "Si": 1.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -1002662.5299999999,
"V_0": 2.5321e-05,
"K_0": 270582550000.00003,
"Kprime_0": 4.01,
"Debye_0": 746.56455,
"grueneisen_0": 1.54222,
"q_0": 0.84088,
"G_0": 130020980000.00002,
"Gprime_0": 1.37254,
"eta_s_0": 2.0941,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.131931,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 13.38135, "V_D": 0.0}]
]
Mineral.__init__(self)
class feri(Mineral):
def __init__(self):
self.params = {
"name": "Fe-Ringwoodite",
"formula": {"Fe": 2.0, "Si": 1.0, "O": 4.0},
"equation_of_state": "slb3",
"F_0": -1359229.67,
"V_0": 4.186e-05,
"K_0": 213410280000.0,
"Kprime_0": 4.22034,
"Debye_0": 662.84304,
"grueneisen_0": 1.26584,
"q_0": 2.39042,
"G_0": 92000000000.0,
"Gprime_0": 1.35412,
"eta_s_0": 1.77066,
"n": 7.0,
"Z": 2.0,
"molar_mass": 0.203777,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 26.7627, "V_D": 0.0}]
]
Mineral.__init__(self)
class fewa(Mineral):
def __init__(self):
self.params = {
"name": "Fe-Wadsleyite",
"formula": {"Fe": 2.0, "Si": 1.0, "O": 4.0},
"equation_of_state": "slb3",
"F_0": -1358363.34,
"V_0": 4.28e-05,
"K_0": 168579210000.0,
"Kprime_0": 4.12303,
"Debye_0": 647.34559,
"grueneisen_0": 1.20388,
"q_0": 2.21007,
"G_0": 72000000000.0,
"Gprime_0": 1.50973,
"eta_s_0": 0.95246,
"n": 7.0,
"Z": 8.0,
"molar_mass": 0.203777,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 26.7627, "V_D": 0.0}]
]
Mineral.__init__(self)
class flpv(Mineral):
def __init__(self):
self.params = {
"name": "Fe-Perovskite_Low_Spin",
"formula": {"Fe": 1.0, "Si": 1.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -879526.2000000001,
"V_0": 2.497e-05,
"K_0": 270582550000.00003,
"Kprime_0": 4.01,
"Debye_0": 692.38659,
"grueneisen_0": 1.54222,
"q_0": 0.84088,
"G_0": 130337050000.0,
"Gprime_0": 1.37411,
"eta_s_0": 1.99344,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.131931,
}
Mineral.__init__(self)
class fnal(Mineral):
def __init__(self):
self.params = {
"name": "Fe-NAL_Phase",
"formula": {"Na": 1.0, "Fe": 2.0, "Al": 5.0, "Si": 1.0, "O": 12.0},
"equation_of_state": "slb3",
"F_0": -5475295.42,
"V_0": 0.000112045,
"K_0": 203995010000.0,
"Kprime_0": 4.31884,
"Debye_0": 795.29328,
"grueneisen_0": 1.42971,
"q_0": 1.0,
"G_0": 149593770000.0,
"Gprime_0": 1.7423,
"eta_s_0": 2.65939,
"n": 21.0,
"Z": 1.0,
"molar_mass": 0.48966601,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 26.7627, "V_D": 0.0}]
]
Mineral.__init__(self)
class fo(Mineral):
def __init__(self):
self.params = {
"name": "Forsterite",
"formula": {"Mg": 2.0, "Si": 1.0, "O": 4.0},
"equation_of_state": "slb3",
"F_0": -2055371.19,
"V_0": 4.3603e-05,
"K_0": 127955500000.0,
"Kprime_0": 4.21796,
"Debye_0": 809.1977,
"grueneisen_0": 0.9928,
"q_0": 2.10671,
"G_0": 81600000000.0,
"Gprime_0": 1.46257,
"eta_s_0": 2.29968,
"n": 7.0,
"Z": 4.0,
"molar_mass": 0.140695,
}
Mineral.__init__(self)
class fppv(Mineral):
def __init__(self):
self.params = {
"name": "Fe-PostPerovskite",
"formula": {"Fe": 1.0, "Si": 1.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -982035.5,
"V_0": 2.46519e-05,
"K_0": 292000000000.0,
"Kprime_0": 3.74,
"Debye_0": 794.15823,
"grueneisen_0": 1.76958,
"q_0": 2.04631,
"G_0": 129500000000.0,
"Gprime_0": 1.31526,
"eta_s_0": 1.72601,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.131931,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 13.38135, "V_D": 0.0}]
]
Mineral.__init__(self)
class fs(Mineral):
def __init__(self):
self.params = {
"name": "Ferrosilite",
"formula": {"Fe": 2.0, "Si": 2.0, "O": 6.0},
"equation_of_state": "slb3",
"F_0": -2228327.6999999997,
"V_0": 6.5941e-05,
"K_0": 100545910000.0,
"Kprime_0": 7.87534,
"Debye_0": 682.67865,
"grueneisen_0": 0.71519,
"q_0": 3.43847,
"G_0": 52000000000.0,
"Gprime_0": 1.54596,
"eta_s_0": 1.08309,
"n": 10.0,
"Z": 4.0,
"molar_mass": 0.2638614,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 26.7627, "V_D": 0.0}]
]
Mineral.__init__(self)
class gr(Mineral):
def __init__(self):
self.params = {
"name": "Grossular",
"formula": {"Ca": 3.0, "Al": 2.0, "Si": 3.0, "O": 12.0},
"equation_of_state": "slb3",
"F_0": -6275179.81,
"V_0": 0.00012512,
"K_0": 167062260000.0,
"Kprime_0": 3.91544,
"Debye_0": 822.77062,
"grueneisen_0": 1.05402,
"q_0": 1.88886,
"G_0": 109000000000.0,
"Gprime_0": 1.16274,
"eta_s_0": 2.38415,
"n": 20.0,
"Z": 4.0,
"molar_mass": 0.450449,
}
Mineral.__init__(self)
class hc(Mineral):
def __init__(self):
self.params = {
"name": "Hercynite",
"formula": {"Fe": 4.0, "Al": 8.0, "O": 16.0},
"equation_of_state": "slb3",
"F_0": -7356185.029999999,
"V_0": 0.000163372,
"K_0": 208982310000.0,
"Kprime_0": 4.62659,
"Debye_0": 794.21184,
"grueneisen_0": 1.19332,
"q_0": 4.05077,
"G_0": 84500000000.0,
"Gprime_0": 0.62792,
"eta_s_0": 2.49369,
"n": 28.0,
"Z": 8.0,
"molar_mass": 0.69524,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 53.5254, "V_D": 0.0}]
]
Mineral.__init__(self)
class he(Mineral):
def __init__(self):
self.params = {
"name": "Hedenbergite",
"formula": {"Ca": 1.0, "Fe": 1.0, "Si": 2.0, "O": 6.0},
"equation_of_state": "slb3",
"F_0": -2676991.78,
"V_0": 6.7867e-05,
"K_0": 119204720000.0,
"Kprime_0": 4.81927,
"Debye_0": 702.08234,
"grueneisen_0": 0.96665,
"q_0": 0.60142,
"G_0": 61000000000.0,
"Gprime_0": 1.71384,
"eta_s_0": 1.01745,
"n": 10.0,
"Z": 1.0,
"molar_mass": 0.2480924,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 5.0, "S_D": 13.38135, "V_D": 0.0}]
]
Mineral.__init__(self)
class hem(Mineral):
def __init__(self):
self.params = {
"name": "Hematite",
"formula": {"Fe": 2.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -744041.62,
"V_0": 3.0287e-05,
"K_0": 204245330000.0,
"Kprime_0": 4.0997,
"Debye_0": 653.80768,
"grueneisen_0": 1.58945,
"q_0": 2.2246,
"G_0": 91000000000.0,
"Gprime_0": 1.81492,
"eta_s_0": 0.52408,
"n": 5.0,
"Z": 1.0,
"molar_mass": 0.15968852,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 950.01, "S_D": 29.79445, "V_D": 0.0}]
]
Mineral.__init__(self)
class hepv(Mineral):
def __init__(self):
self.params = {
"name": "Fe2O3-Perovskite_HS",
"formula": {"Fe": 2.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -721269.05,
"V_0": 3.08668e-05,
"K_0": 135000000000.0,
"Kprime_0": 4.0,
"Debye_0": 613.90405,
"grueneisen_0": 1.54222,
"q_0": 0.84088,
"G_0": 88766580000.0,
"Gprime_0": 1.73259,
"eta_s_0": 0.66524,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.15968852,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 10.0, "S_D": 29.79445, "V_D": 0.0}]
]
Mineral.__init__(self)
class hlpv(Mineral):
def __init__(self):
self.params = {
"name": "Fe2O3-Perovskite_LS",
"formula": {"Fe": 2.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -617631.95,
"V_0": 2.75209e-05,
"K_0": 204251000000.0,
"Kprime_0": 4.1,
"Debye_0": 725.62214,
"grueneisen_0": 1.54222,
"q_0": 0.84088,
"G_0": 163996000000.0,
"Gprime_0": 1.73259,
"eta_s_0": 3.0318,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.15968852,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 10.0, "S_D": 20.66026, "V_D": 0.0}]
]
Mineral.__init__(self)
class hmag(Mineral):
def __init__(self):
self.params = {
"name": "High-Pressure_Magnetit",
"formula": {"Fe": 3.0, "O": 4.0},
"equation_of_state": "slb3",
"F_0": -964475.2200000001,
"V_0": 4.1702e-05,
"K_0": 172000000000.0,
"Kprime_0": 4.0,
"Debye_0": 533.17958,
"grueneisen_0": 1.56672,
"q_0": 1.0,
"G_0": 108730730000.0,
"Gprime_0": 1.93591,
"eta_s_0": 0.90477,
"n": 7.0,
"Z": 1.0,
"molar_mass": 0.23153307,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 845.5, "S_D": 43.1758, "V_D": 0.0}]
]
Mineral.__init__(self)
class hppv(Mineral):
def __init__(self):
self.params = {
"name": "HS_Fe2O3-Post-Perovski",
"formula": {"Fe": 2.0, "O": 3.0},
"equation_of_state": "slb3",
"F_0": -622376.42,
"V_0": 2.76884e-05,
"K_0": 176500000000.0,
"Kprime_0": 4.0,
"Debye_0": 688.0644,
"grueneisen_0": 1.76958,
"q_0": 2.04631,
"G_0": 159009520000.0,
"Gprime_0": 1.85188,
"eta_s_0": 2.00124,
"n": 5.0,
"Z": 4.0,
"molar_mass": 0.15968852,
}
self.property_modifiers = [
["landau_slb_2022", {"Tc_0": 10.0, "S_D": 29.79445, "V_D": 0.0}]
]
Mineral.__init__(self)
class jd(Mineral):
def __init__(self):
self.params = {
"name": "Jadeite",
"formula": {"Na": 1.0, "Al": 1.0, "Si": 2.0, "O": 6.0},
"equation_of_state": "slb3",
"F_0": -2855195.56,
"V_0": 6.0508e-05,
"K_0": 142292260000.0,
"Kprime_0": 4.8061,
"Debye_0": 820.78389,
"grueneisen_0": 0.89983,
"q_0": 0.78628,
"G_0": 85000000000.0,
"Gprime_0": 1.71384,
"eta_s_0": 1.88167,
"n": 10.0,
"Z": 1.0,
"molar_mass": 0.2021387,
}
Mineral.__init__(self)
class ky(Mineral):
def __init__(self):
self.params = {
"name": "Kyanite",
"formula": {"Al": 2.0, "Si": 1.0, "O": 5.0},
"equation_of_state": "slb3",
"F_0": -2446081.74,