| Comments are indicated by the | character. | Between 5/13/2019 and 1/21/2021 the spin configurational entropy per iron atom in this file | was computed incorrectly as -R (1/5 ln(1/5) + 4/5 ln (4/5)) rather than -R ln(1/5) | as in this version and the original data. JADC, 1/21/21. | This file contains thermodynamic data from: | Stixrude, L. and Lithgow-Bertelloni, C. (2011), | Thermodynamics of mantle minerals – II. Phase equilibria. | Geophysical Journal International, 184: 1180–1213. | doi: 10.1111/j.1365-246X.2010.04890.x | formatted for Perple_X 6.6+. | The non-zero parameters stored here are (in order): | f0 -n -v0 k0 k0' td gam0 q etaS0 Sconf g0 g0' | Magnetic Sconf for all FeO-endmembers assumes high spin state. | See http://www.perplex.ethz.ch/perplex_thermodynamic_data_file.html | for details on the Perple_X implementation of this data base. | This data base should be used with the solution models (in | solution model file stx11_solution_model.dat): | Pl | Sp | O | Wad | Ring | Opx | Cpx | Pv | Ppv | CF | C2/c | Wus | Aki | Gt or Gt_maj for the distinction between these two models refer to | the comments with the Gt_maj model in stx11_solution_model.dat | JADC 2/20/11. Stixrude & Lithgow-Bertelloni, GJI '11 |<= data base title begin_standard_variables |<= name (<9 characters), reference value, tolerance P(bar) 1.00 1. T(K) 300.00 1. Y(CO2) 0.00 0.1E-6 mu(C1) 0.00 0.1E-2 mu(C2) 0.00 0.1E-2 end_standard_variables tolerance -1. |<= DTOL for unconstrained minimization, energy units begin_components |<= name (<5 characters), molar weight (g) NA2O 61.9790 MGO 40.3040 AL2O3 101.9610 SIO2 60.0840 CAO 56.0770 FEO 71.8440 end_components end ab EoS = 6 | Na_1Al_1Si_3O_8 NA2O(.5)AL2O3(.5)SIO2(3) G0 = -3718799. S0 = -13 V0 = -10.0452 c1 = 597616.2 c2 = 4 c3 = 713.7824 c4 = .56704 c5 = 1 c6 = 1.04208 m0 = 360000 m1 = 1.3855 end alm EoS = 6 | Fe_3Al_1Al_1Si_3O_12 AL2O3(1)SIO2(3)FEO(3) G0 = -4935516. S0 = -20 V0 = -11.543 c1 = 1738963. c2 = 4.91341 c3 = 741.356 c4 = 1.06495 c5 = 1.42169 c6 = 2.09292 c7 = 40.14 m0 = 960000 m1 = 1.40927 end aperov EoS = 6 | Al_1Al_1O_3 AL2O3(1) G0 = -1533878. S0 = -5 V0 = -2.4944 c1 = 2582000. c2 = 4.14 c3 = 886.4601 c4 = 1.56508 c5 = 1.10945 c6 = 2.47126 m0 = 1713116. m1 = 1.49706 end an EoS = 6 | Ca_1Al_2Si_2O_8 AL2O3(1)SIO2(2)CAO(1) G0 = -4014619. S0 = -13 V0 = -10.061 c1 = 840891.5 c2 = 4 c3 = 752.3911 c4 = .39241 c5 = 1 c6 = 1.6254 m0 = 399000 m1 = 1.09134 end seif EoS = 6 | Si_1O_2 PbO2 structure AND CaCl2 structure SIO2(1) G0 = -794335.4 S0 = -3 V0 = -1.367 c1 = 3275843. c2 = 4.01553 c3 = 1140.772 c4 = 1.37466 c5 = 2.83517 c6 = 4.97108 m0 = 2274532. m1 = 1.76965 end appv EoS = 6 | Al_1Al_1O_3 AL2O3(1) G0 = -1377582. S0 = -5 V0 = -2.3847 c1 = 2490000. c2 = 4 c3 = 762.1951 c4 = 1.64573 c5 = 1.09081 c6 = 2.83762 m0 = 919653.1 m1 = 1.81603 end ca-pv EoS = 6 | Ca_1Si_1O_3 SIO2(1)CAO(1) G0 = -1463358. S0 = -5 V0 = -2.745 c1 = 2360000 c2 = 3.9 c3 = 795.779 c4 = 1.88839 c5 = .89769 c6 = 1.28818 m0 = 1568315. m1 = 2.22713 end cts EoS = 6 | Ca_1Al_1(Si_1Al_1)O_6 AL2O3(1)SIO2(1)CAO(1) G0 = -3120253. S0 = -10 V0 = -6.3574 c1 = 1122413. c2 = 5.23885 c3 = 803.6626 c4 = .78126 c5 = 1.52852 c6 = 1.9672 c7 = 11.525 m0 = 751606.6 m1 = 1.54016 end cen EoS = 6 | Mg_1Mg_1Si_2O_6 MGO(2)SIO2(2) G0 = -2905918 S0 = -10 V0 = -6.25 c1 = 1122413. c2 = 5.23885 c3 = 805.0547 c4 = .95873 c5 = 1.52852 c6 = 1.69074 m0 = 794968.6 m1 = 1.62901 end cfs EoS = 6 | Fe_2Fe_2Si_4O_12 SIO2(4)FEO(4) G0 = -4448021. S0 = -20 V0 = -13.28 c1 = 1122413. c2 = 5.23886 c3 = 697.7495 c4 = .95873 c5 = 1.52852 c6 = 1.36078 c7 = 53.52 m0 = 589860.5 m1 = 1.20872 end cor EoS = 6 | Al_1Al_1O_3 AL2O3(1) G0 = -1582454 S0 = -5 V0 = -2.5577 c1 = 2525457. c2 = 4.33728 c3 = 932.5696 c4 = 1.32442 c5 = 1.30316 c6 = 2.8316 m0 = 1632000. m1 = 1.64174 end coe EoS = 6 | Si_1O_2 SIO2(1) G0 = -855068.5 S0 = -3 V0 = -2.0657 c1 = 1135856. c2 = 4 c3 = 852.4267 c4 = .39157 c5 = 1 c6 = 2.39793 m0 = 616000.1 m1 = 1.24734 end di EoS = 6 | Ca_1Mg_1Si_2O_6 MGO(1)SIO2(2)CAO(1) G0 = -3029531. S0 = -10 V0 = -6.6039 c1 = 1122413. c2 = 5.23885 c3 = 781.6146 c4 = .95873 c5 = 1.52852 c6 = 1.57351 m0 = 670000 m1 = 1.37293 end en EoS = 6 | Mg_1Mg_1Si_2O_6 MGO(2)SIO2(2) G0 = -2913596 S0 = -10 V0 = -6.2676 c1 = 1070768. c2 = 7.02751 c3 = 812.1848 c4 = .78479 c5 = 3.43846 c6 = 2.50453 m0 = 768000 m1 = 1.54596 end fc2/c EoS = 6 | Fe_2Si_2O_6 SIO2(2)FEO(2) G0 = -2222183 S0 = -10 V0 = -6.385413 c1 = 1160254. c2 = 6.23685 c3 = 691.564 c4 = 1.12473 c5 = .20401 c6 = .79216 c7 = 26.76 m0 = 706230.9 m1 = 1.84119 end fa EoS = 6 | Fe_2Si_1O_4 SIO2(1)FEO(2) G0 = -1370519. S0 = -7 V0 = -4.629 c1 = 1349622. c2 = 4.21796 c3 = 618.7007 c4 = 1.06023 c5 = 3.6466 c6 = 1.02497 c7 = 26.76 m0 = 508999.9 m1 = 1.46257 end ffer EoS = 6 | Fe_1Al_1Al_1O_4 AL2O3(1)FEO(1) G0 = -1790284 S0 = -7 V0 = -3.7258 c1 = 2106663. c2 = 4.0528 c3 = 804.1986 c4 = 1.31156 c5 = 1 c6 = 3.0268 c7 = 13.38 m0 = 1535236. m1 = 1.75878 end faki EoS = 6 | Fe_1Si_1O_3 SIO2(1)FEO(1) G0 = -1067598. S0 = -5 V0 = -2.6854 c1 = 2107060. c2 = 5.62088 c3 = 887.8709 c4 = 1.18984 c5 = 2.34514 c6 = 3.5716 c7 = 13.38 m0 = 1523046. m1 = 1.57889 end fperov EoS = 6 | Fe_1Si_1O_3 SIO2(1)FEO(1) G0 = -1040920. S0 = -5 V0 = -2.5485 c1 = 2721152. c2 = 4.14 c3 = 870.8122 c4 = 1.56508 c5 = 1.10945 c6 = 2.29211 c7 = 13.38 m0 = 1326849. m1 = 1.37485 end fring EoS = 6 | Fe_2Si_1O_4 SIO2(1)FEO(2) G0 = -1362772. S0 = -7 V0 = -4.186 c1 = 2134120. c2 = 4.22035 c3 = 677.7177 c4 = 1.27193 c5 = 2.3914 c6 = 1.77249 c7 = 26.76 m0 = 920000 m1 = 1.35412 end fwad EoS = 6 | Fe_2Si_1O_4 SIO2(1)FEO(2) G0 = -1364668. S0 = -7 V0 = -4.28 c1 = 1685910. c2 = 4.3229 c3 = 665.4492 c4 = 1.2061 c5 = 2.0188 c6 = 1.04017 c7 = 26.76 m0 = 720000 m1 = 1.44424 end fo EoS = 6 | Mg_2Si_1O_4 MGO(2)SIO2(1) G0 = -2055403 S0 = -7 V0 = -4.3603 c1 = 1279555. c2 = 4.21796 c3 = 809.1703 c4 = .99282 c5 = 2.10672 c6 = 2.29972 m0 = 815999.9 m1 = 1.46257 end fppv EoS = 6 | Fe_1Si_1O_3 SIO2(1)FEO(1) G0 = -981806.9 S0 = -5 V0 = -2.5459 c1 = 2312000. c2 = 4 c3 = 781.3465 c4 = 1.89155 c5 = 1.09081 c6 = 1.36382 c7 = 13.38 m0 = 1295000 m1 = 1.44675 end fs EoS = 6 | Fe_1Fe_1Si_2O_6 SIO2(2)FEO(2) G0 = -2225718. S0 = -10 V0 = -6.5941 c1 = 1005386. c2 = 7.02751 c3 = 674.4769 c4 = .71889 c5 = 3.43846 c6 = 1.07706 c7 = 26.76 m0 = 520000 m1 = 1.54596 end gr EoS = 6 | Ca_3Al_1Al_1Si_3O_12 AL2O3(1)SIO2(3)CAO(3) G0 = -6277935. S0 = -20 V0 = -12.512 c1 = 1670622. c2 = 3.91544 c3 = 822.743 c4 = 1.05404 c5 = 1.88887 c6 = 2.38418 m0 = 1090000 m1 = 1.16274 end herc EoS = 6 | (Fe_3Al_1)(Al_7Fe_1)O_16 AL2O3(4)FEO(4) G0 = -7324009. S0 = -28 V0 = -16.3372 c1 = 2088965. c2 = 5.68282 c3 = 763.231 c4 = 1.21719 c5 = 2.71208 c6 = 2.768 c7 = 97.28 m0 = 845000 m1 = .37303 end hed EoS = 6 | Ca_1Fe_1Si_2O_6 SIO2(2)CAO(1)FEO(1) G0 = -2677330. S0 = -10 V0 = -6.7867 c1 = 1192555. c2 = 5.23885 c3 = 701.5851 c4 = .93516 c5 = 1.52852 c6 = 1.5703 c7 = 13.38 m0 = 610000 m1 = 1.17647 end jd EoS = 6 | Na_1Al_1Si_2O_6 NA2O(.5)AL2O3(.5)SIO2(2) G0 = -2855192. S0 = -10 V0 = -6.0508 c1 = 1422873. c2 = 5.23885 c3 = 820.7623 c4 = .903 c5 = .39234 c6 = 2.18453 m0 = 850000 m1 = 1.37398 end jmaj EoS = 6 | (Na_2Al_1)Al_1Si_1Si_3O_12 NA2O(1)AL2O3(1)SIO2(4) G0 = -5518542. S0 = -20 V0 = -11.094 c1 = 1770772. c2 = 4.11067 c3 = 895.914 c4 = 1.01424 c5 = 1.42169 c6 = 3.30517 m0 = 1250000 m1 = 1.35756 end ky EoS = 6 | Al_2Si_1O_5 AL2O3(1)SIO2(1) G0 = -2446058. S0 = -8 V0 = -4.4227 c1 = 1600000 c2 = 4 c3 = 943.1665 c4 = .9255 c5 = 1 c6 = 2.96665 m0 = 1204033 m1 = 1.7308 end c2/c EoS = 6 | Mg_2Si_2O_6 MGO(2)SIO2(2) G0 = -2905788. S0 = -10 V0 = -6.076 c1 = 1160254. c2 = 6.23685 c3 = 824.4439 c4 = 1.12473 c5 = .20401 c6 = 2.14181 m0 = 879271.7 m1 = 1.84119 end mfer EoS = 6 | Mg_1Al_1Al_1O_4 MGO(1)AL2O3(1) G0 = -2122169 S0 = -7 V0 = -3.6177 c1 = 2106663. c2 = 4.0528 c3 = 838.6291 c4 = 1.31156 c5 = 1 c6 = 2.1073 m0 = 1298260. m1 = 1.75878 end aki EoS = 6 | Mg_1Si_1O_3 MGO(1)SIO2(1) G0 = -1410850. S0 = -5 V0 = -2.6354 c1 = 2107060. c2 = 5.62088 c3 = 935.9778 c4 = 1.18984 c5 = 2.34514 c6 = 2.80782 m0 = 1320000 m1 = 1.57889 end maj EoS = 6 | Mg_3Mg_1Si_1Si_3O_12 MGO(4)SIO2(4) G0 = -5691614. S0 = -20 V0 = -11.4324 c1 = 1651183. c2 = 4.21183 c3 = 822.458 c4 = .97682 c5 = 1.53581 c6 = 1.0178 m0 = 849999.9 m1 = 1.42969 end perov EoS = 6 | Mg_1Si_1O_3 MGO(1)SIO2(1) G0 = -1368283. S0 = -5 V0 = -2.4445 c1 = 2505264. c2 = 4.14 c3 = 905.9412 c4 = 1.56508 c5 = 1.10945 c6 = 2.56536 m0 = 1729000. m1 = 1.69037 end ring EoS = 6 | Mg_2Si_1O_4 MGO(2)SIO2(1) G0 = -2017557. S0 = -7 V0 = -3.9493 c1 = 1849009. c2 = 4.22035 c3 = 877.7094 c4 = 1.10791 c5 = 2.3914 c6 = 2.30461 m0 = 1230000. m1 = 1.35412 end ts EoS = 6 | Mg_1Al_1Si_1Al_1O_6 MGO(1)AL2O3(1)SIO2(1) G0 = -3002470. S0 = -10 V0 = -5.914 c1 = 1070768. c2 = 7.02751 c3 = 783.8404 c4 = .78479 c5 = 3.43846 c6 = 2.49099 m0 = 959508.6 m1 = 1.54596 end wad EoS = 6 | Mg_2Si_1O_4 MGO(2)SIO2(1) G0 = -2027837. S0 = -7 V0 = -4.0515 c1 = 1686948. c2 = 4.3229 c3 = 843.4973 c4 = 1.2061 c5 = 2.0188 c6 = 2.63683 m0 = 1120000 m1 = 1.44424 end ppv EoS = 6 | Mg_1Si_1O_3 MGO(1)SIO2(1) G0 = -1348641. S0 = -5 V0 = -2.4419 c1 = 2312000. c2 = 4 c3 = 855.8173 c4 = 1.89155 c5 = 1.09081 c6 = 1.16704 m0 = 1501670. m1 = 1.97874 end nfer EoS = 6 | Na_1Al_1Si_1O_4 NA2O(.5)AL2O3(.5)SIO2(1) G0 = -1844129 S0 = -7 V0 = -3.627 c1 = 1613385. c2 = 4.32479 c3 = 812.4769 c4 = .69428 c5 = 1 c6 = 2.79016 m0 = 1220049 m1 = 2.07687 end neph EoS = 6 | Na_1Al_1Si_1O_4 NA2O(.5)AL2O3(.5)SIO2(1) G0 = -1992104. S0 = -7 V0 = -5.46684 c1 = 530779.9 c2 = 4 c3 = 700.9422 c4 = .69428 c5 = 1 c6 = .6291 m0 = 307000 m1 = 1.33031 end odi EoS = 6 | Ca_1Mg_1Si_2O_6 MGO(1)SIO2(2)CAO(1) G0 = -3015827. S0 = -10 V0 = -6.8054 c1 = 1070768. c2 = 7.02751 c3 = 744.6988 c4 = .78479 c5 = 3.43846 c6 = 1.36161 m0 = 584589.5 m1 = 1.54596 end per EoS = 6 | Mg_1O_1 MGO(1) G0 = -569444.6 S0 = -2 V0 = -1.1244 c1 = 1613836. c2 = 3.84045 c3 = 767.0977 c4 = 1.36127 c5 = 1.7217 c6 = 2.81765 m0 = 1309000. m1 = 2.1438 end py EoS = 6 | Mg_3Al_1Al_1Si_3O_12 MGO(3)AL2O3(1)SIO2(3) G0 = -5936538. S0 = -20 V0 = -11.308 c1 = 1702396. c2 = 4.11067 c3 = 823.2102 c4 = 1.01424 c5 = 1.42169 c6 = .98186 m0 = 936999.9 m1 = 1.35756 end q EoS = 6 | Si_1O_2 SIO2(1) G0 = -858853.4 S0 = -3 V0 = -2.367003 c1 = 495474.3 c2 = 4.33155 c3 = 816.3307 c4 = -.296E-2 c5 = 1 c6 = 2.36469 m0 = 448561.7 m1 = .95315 transition = 1 type = 4 t1 = 847 t2 = 4.95 t3 = .1188 end sp EoS = 6 | (Mg_3Al_1)(Al_7Mg_1)O_16 MGO(4)AL2O3(4) G0 = -8667568 S0 = -28 V0 = -15.9048 c1 = 1969428. c2 = 5.68282 c3 = 842.8104 c4 = 1.02283 c5 = 2.71208 c6 = 2.66282 c7 = 43.76 m0 = 1085000 m1 = .37303 end st EoS = 6 | Si_1O_2 SIO2(1) G0 = -818984.6 S0 = -3 V0 = -1.4017 c1 = 3143352. c2 = 3.75122 c3 = 1107.824 c4 = 1.37466 c5 = 2.83517 c6 = 4.60904 m0 = 2200000 m1 = 1.93334 end wus EoS = 6 | Fe_1O_1 FEO(1) G0 = -242146 S0 = -2 V0 = -1.2264 c1 = 1794442. c2 = 4.9376 c3 = 454.1592 c4 = 1.53047 c5 = 1.7217 c6 = -.5731E-1 c7 = 13.38 m0 = 590000 m1 = 1.44673 end