HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=55",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=53",
"results": [
{
"id": "mp-20502",
"created_at": "2022-09-04T14:46:28.404077Z",
"structure_string": "Gd2 Cu2 Sb4\n1.0\n4.350246 0.000000 0.000000\n0.000000 4.350246 0.000000\n0.000000 0.000000 9.841140\nGd Cu Sb\n2 2 4\ndirect\n0.000000 0.500000 0.747239 Gd\n0.500000 0.000000 0.252761 Gd\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.341809 Sb\n0.500000 0.000000 0.658191 Sb\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Gd",
"Cu",
"Sb"
],
"chemical_system": "Cu-Gd-Sb",
"density": 8.279797201910961,
"density_atomic": 0.04295531856011269,
"volume": 186.24003425337446,
"volume_molar": 14.019546267763031,
"formula_full": "Gd2 Cu2 Sb4",
"formula_reduced": "GdCuSb2",
"formula_anonymous": "ABC2",
"energy": -58.80477474,
"energy_per_atom": -7.3505968425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.03677474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.6921135,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:38.248000Z",
"spacegroup": 129
},
{
"id": "mp-1205300",
"created_at": "2022-09-04T14:46:28.412474Z",
"structure_string": "Tm1 Co12 B6\n1.0\n3.658750 -4.692477 0.000000\n3.658750 4.692477 0.000000\n-2.359517 0.000000 5.462460\nTm Co B\n1 12 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.132263 0.867737 0.500000 Co\n0.500000 0.132263 0.867737 Co\n0.867737 0.500000 0.132263 Co\n0.500000 0.867737 0.132263 Co\n0.132263 0.500000 0.867737 Co\n0.867737 0.132263 0.500000 Co\n0.546565 0.814490 0.546565 Co\n0.546565 0.546565 0.814490 Co\n0.814490 0.546565 0.546565 Co\n0.453435 0.185510 0.453435 Co\n0.453435 0.453435 0.185510 Co\n0.185510 0.453435 0.453435 Co\n0.765439 0.321203 0.765439 B\n0.765439 0.765439 0.321203 B\n0.321203 0.765439 0.765439 B\n0.234561 0.678797 0.234561 B\n0.234561 0.234561 0.678797 B\n0.678797 0.234561 0.234561 B\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tm",
"Co",
"B"
],
"chemical_system": "B-Co-Tm",
"density": 8.330765276489906,
"density_atomic": 0.10129790124190073,
"volume": 187.56558395645087,
"volume_molar": 5.9449807806176045,
"formula_full": "Tm1 Co12 B6",
"formula_reduced": "Tm(Co2B)6",
"formula_anonymous": "AB6C12",
"energy": -136.39702102,
"energy_per_atom": -7.17879058,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.39702102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.1129372,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:39.250000Z",
"spacegroup": 166
},
{
"id": "mp-1195699",
"created_at": "2022-09-04T14:46:28.413851Z",
"structure_string": "Sb4 P2 S4 O26\n1.0\n5.202308 0.000000 0.000000\n0.475227 8.285462 0.000000\n0.477521 1.584556 12.900495\nSb P S O\n4 2 4 26\ndirect\n0.285294 0.241540 0.457800 Sb\n0.714706 0.758460 0.542200 Sb\n0.297236 0.206840 0.824198 Sb\n0.702764 0.793160 0.175802 Sb\n0.229986 0.530917 0.639990 P\n0.770014 0.469083 0.360010 P\n0.794033 0.103123 0.657608 S\n0.205967 0.896877 0.342392 S\n0.751334 0.206710 0.971043 S\n0.248666 0.793290 0.028957 S\n0.468499 0.633289 0.641871 O\n0.531501 0.366711 0.358129 O\n0.982601 0.643799 0.637701 O\n0.017399 0.356201 0.362299 O\n0.208080 0.424525 0.746783 O\n0.791920 0.575475 0.253217 O\n0.638139 0.222260 0.718262 O\n0.361861 0.777740 0.281738 O\n0.729149 0.214885 0.081974 O\n0.270851 0.785115 0.918026 O\n0.742801 0.046805 0.936032 O\n0.257199 0.953195 0.063968 O\n0.070373 0.102736 0.687400 O\n0.929627 0.897264 0.312600 O\n0.532345 0.319823 0.917203 O\n0.467655 0.680177 0.082797 O\n0.249848 0.432272 0.547929 O\n0.750152 0.567728 0.452071 O\n0.781663 0.165701 0.545439 O\n0.218337 0.834299 0.454561 O\n0.000494 0.286918 0.930136 O\n0.999506 0.713082 0.069864 O\n0.687655 0.941302 0.679907 O\n0.312345 0.058698 0.320093 O\n0.781601 0.669875 0.856393 O\n0.218399 0.330125 0.143607 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sb",
"P",
"S",
"O"
],
"chemical_system": "O-P-S-Sb",
"density": 3.2646921676597045,
"density_atomic": 0.0647415861619476,
"volume": 556.0568119222154,
"volume_molar": 9.301812199867852,
"formula_full": "Sb4 P2 S4 O26",
"formula_reduced": "Sb2PS2O13",
"formula_anonymous": "AB2C2D13",
"energy": -233.37549311,
"energy_per_atom": -6.482652586388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -215.51349311,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.627794,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:40.168000Z",
"spacegroup": 2
},
{
"id": "mp-582034",
"created_at": "2022-09-04T14:46:28.295293Z",
"structure_string": "Si21 C21\n1.0\n1.547459 -2.680277 0.000000\n1.547459 2.680277 0.000000\n0.000000 0.000000 53.136552\nSi C\n21 21\ndirect\n0.000000 0.000000 0.476202 Si\n0.000000 0.000000 0.190489 Si\n0.666667 0.333333 0.619067 Si\n0.000000 0.000000 0.095209 Si\n0.666667 0.333333 0.761882 Si\n0.000000 0.000000 0.904770 Si\n0.333333 0.666667 0.714269 Si\n0.333333 0.666667 0.285698 Si\n0.666667 0.333333 0.952342 Si\n0.666667 0.333333 0.523767 Si\n0.333333 0.666667 0.142855 Si\n0.666667 0.333333 0.238053 Si\n0.333333 0.666667 0.999995 Si\n0.333333 0.666667 0.428559 Si\n0.666667 0.333333 0.333331 Si\n0.666667 0.333333 0.047639 Si\n0.000000 0.000000 0.809473 Si\n0.000000 0.000000 0.666658 Si\n0.333333 0.666667 0.571418 Si\n0.000000 0.000000 0.380901 Si\n0.333333 0.666667 0.857127 Si\n0.666667 0.333333 0.273759 C\n0.000000 0.000000 0.702392 C\n0.000000 0.000000 0.940479 C\n0.666667 0.333333 0.654787 C\n0.666667 0.333333 0.797616 C\n0.333333 0.666667 0.321504 C\n0.666667 0.333333 0.083363 C\n0.333333 0.666667 0.607237 C\n0.333333 0.666667 0.035821 C\n0.000000 0.000000 0.226194 C\n0.333333 0.666667 0.178670 C\n0.000000 0.000000 0.511903 C\n0.333333 0.666667 0.892940 C\n0.333333 0.666667 0.464364 C\n0.666667 0.333333 0.559473 C\n0.666667 0.333333 0.988047 C\n0.000000 0.000000 0.845184 C\n0.666667 0.333333 0.369030 C\n0.000000 0.000000 0.130922 C\n0.000000 0.000000 0.416599 C\n0.333333 0.666667 0.750011 C\n",
"nsites": 42,
"nelements": 2,
"elements": [
"Si",
"C"
],
"chemical_system": "C-Si",
"density": 3.172118563330098,
"density_atomic": 0.09528556073834625,
"volume": 440.78032048666665,
"volume_molar": 6.32009793859195,
"formula_full": "Si21 C21",
"formula_reduced": "SiC",
"formula_anonymous": "AB",
"energy": -316.27695363,
"energy_per_atom": -7.530403657857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -316.27695363,
"band_gap": 1.6890999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.7e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:35.790000Z",
"spacegroup": 156
},
{
"id": "mp-1232124",
"created_at": "2022-09-04T14:46:28.302291Z",
"structure_string": "Dy8 Mg4 S16\n1.0\n13.516282 0.000000 0.000000\n0.000000 7.906359 0.000000\n0.000000 0.000000 6.527596\nDy Mg S\n8 4 16\ndirect\n0.000000 0.000000 0.500000 Dy\n0.500000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.232324 0.750000 0.999455 Dy\n0.767676 0.250000 0.000545 Dy\n0.267676 0.250000 0.499455 Dy\n0.732324 0.750000 0.500545 Dy\n0.093288 0.250000 0.922449 Mg\n0.906712 0.750000 0.077551 Mg\n0.406712 0.750000 0.422449 Mg\n0.593288 0.250000 0.577551 Mg\n0.168734 0.009288 0.741197 S\n0.831266 0.990712 0.258803 S\n0.331266 0.990712 0.241197 S\n0.668734 0.009288 0.758803 S\n0.668734 0.490712 0.758803 S\n0.331266 0.509288 0.241197 S\n0.831266 0.509288 0.258803 S\n0.168734 0.490712 0.741197 S\n0.070598 0.750000 0.247720 S\n0.929401 0.250000 0.752280 S\n0.429401 0.250000 0.747720 S\n0.570599 0.750000 0.252280 S\n0.091686 0.250000 0.289687 S\n0.908314 0.750000 0.710313 S\n0.408314 0.750000 0.789687 S\n0.591686 0.250000 0.210313 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Dy",
"Mg",
"S"
],
"chemical_system": "Dy-Mg-S",
"density": 4.54730974070637,
"density_atomic": 0.04013941043234212,
"volume": 697.5687908320434,
"volume_molar": 15.00306231490558,
"formula_full": "Dy8 Mg4 S16",
"formula_reduced": "Dy2MgS4",
"formula_anonymous": "AB2C4",
"energy": -169.79302325,
"energy_per_atom": -6.064036544642858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.74502325,
"band_gap": 2.5008000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0043884,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.728000Z",
"spacegroup": 62
},
{
"id": "mp-766259",
"created_at": "2022-09-04T14:46:28.305898Z",
"structure_string": "Sn2 H20 Cl8 O10\n1.0\n5.047598 6.245581 0.000000\n-5.047598 6.245581 0.000000\n0.000000 2.026210 8.538783\nSn H Cl O\n2 20 8 10\ndirect\n0.254650 0.745350 0.750000 Sn\n0.745350 0.254650 0.250000 Sn\n0.854271 0.582689 0.760581 H\n0.582689 0.854271 0.260581 H\n0.782322 0.411136 0.778641 H\n0.603286 0.626568 0.670382 H\n0.525772 0.698835 0.498021 H\n0.411136 0.782322 0.278641 H\n0.626568 0.603286 0.170382 H\n0.891730 0.157709 0.659856 H\n0.842291 0.108270 0.840144 H\n0.698835 0.525772 0.998021 H\n0.301165 0.474228 0.001979 H\n0.157709 0.891730 0.159856 H\n0.108270 0.842291 0.340144 H\n0.373432 0.396714 0.829618 H\n0.588864 0.217678 0.721359 H\n0.474228 0.301165 0.501979 H\n0.396714 0.373432 0.329618 H\n0.217678 0.588864 0.221359 H\n0.417311 0.145729 0.739419 H\n0.145729 0.417311 0.239419 H\n0.987150 0.788800 0.929399 Cl\n0.788800 0.987150 0.429399 Cl\n0.411299 0.866489 0.901885 Cl\n0.866489 0.411299 0.401885 Cl\n0.133511 0.588701 0.598115 Cl\n0.588701 0.133511 0.098115 Cl\n0.211200 0.012850 0.570601 Cl\n0.012850 0.211200 0.070601 Cl\n0.749035 0.534137 0.796576 O\n0.534137 0.749035 0.296576 O\n0.500067 0.659334 0.613615 O\n0.808121 0.191879 0.750000 O\n0.659334 0.500067 0.113615 O\n0.340666 0.499933 0.886385 O\n0.191879 0.808121 0.250000 O\n0.499933 0.340666 0.386385 O\n0.465863 0.250965 0.703424 O\n0.250965 0.465863 0.203424 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Sn",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O-Sn",
"density": 2.1627456427637384,
"density_atomic": 0.07429787867429427,
"volume": 538.3733790752128,
"volume_molar": 8.105400675569426,
"formula_full": "Sn2 H20 Cl8 O10",
"formula_reduced": "SnH10Cl4O5",
"formula_anonymous": "AB4C5D10",
"energy": -192.83890659,
"energy_per_atom": -4.82097266475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.05690659,
"band_gap": 3.3374,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024779,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:37.036000Z",
"spacegroup": 15
},
{
"id": "mp-1520998",
"created_at": "2022-09-04T14:46:28.368296Z",
"structure_string": "Sr1 Ca1 Zr1 Ti1 O6\n1.0\n0.000000 -4.047436 -4.047436\n4.047436 0.000000 -4.047436\n4.047436 -4.047436 0.000000\nSr Ca Zr Ti O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Ti\n0.757859 0.242141 0.242141 O\n0.242141 0.757859 0.757859 O\n0.757859 0.242141 0.757859 O\n0.242141 0.757859 0.242141 O\n0.757859 0.757859 0.242141 O\n0.242141 0.242141 0.757859 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Zr",
"Ti",
"O"
],
"chemical_system": "Ca-O-Sr-Ti-Zr",
"density": 4.542855596041015,
"density_atomic": 0.07541018977380821,
"volume": 132.60807365682086,
"volume_molar": 7.985844854738232,
"formula_full": "Sr1 Ca1 Zr1 Ti1 O6",
"formula_reduced": "SrCaZrTiO6",
"formula_anonymous": "ABCDE6",
"energy": -85.09468204,
"energy_per_atom": -8.509468204,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.97268204,
"band_gap": 2.3639999999999994,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.862000Z",
"spacegroup": 216
},
{
"id": "mp-1219219",
"created_at": "2022-09-04T14:46:28.404906Z",
"structure_string": "Si1 Tc4\n1.0\n0.000000 2.298172 10.608022\n1.473586 0.000000 10.608022\n1.473586 2.298172 0.000000\nSi Tc\n1 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.407369 0.407369 0.592631 Tc\n0.802796 0.802796 0.197204 Tc\n0.197204 0.197204 0.802796 Tc\n0.592631 0.592631 0.407369 Tc\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Si",
"Tc"
],
"chemical_system": "Si-Tc",
"density": 9.708773414099475,
"density_atomic": 0.06959011930530565,
"volume": 71.84928047132681,
"volume_molar": 8.653729610060983,
"formula_full": "Si1 Tc4",
"formula_reduced": "SiTc4",
"formula_anonymous": "AB4",
"energy": -46.10261581,
"energy_per_atom": -9.220523162000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.10261581,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.026315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.655000Z",
"spacegroup": 69
},
{
"id": "mp-1218522",
"created_at": "2022-09-04T14:46:28.411126Z",
"structure_string": "Sr3 Ca1 Sn4 O12\n1.0\n8.143654 0.000000 0.000000\n0.000000 5.747710 0.000000\n0.000000 0.004979 5.802735\nSr Ca Sn O\n3 1 4 12\ndirect\n0.000000 0.005466 0.967307 Sr\n0.500000 0.507851 0.530620 Sr\n0.500000 0.990767 0.037006 Sr\n0.000000 0.489450 0.453334 Ca\n0.247700 0.500363 0.998520 Sn\n0.752745 0.999075 0.500357 Sn\n0.752300 0.500363 0.998520 Sn\n0.247255 0.999075 0.500357 Sn\n0.206275 0.215258 0.216237 O\n0.800171 0.295216 0.705552 O\n0.710406 0.792098 0.790253 O\n0.291118 0.712909 0.285530 O\n0.289594 0.792098 0.790253 O\n0.708882 0.712909 0.285530 O\n0.793725 0.215258 0.216237 O\n0.199829 0.295216 0.705552 O\n0.000000 0.576620 0.037661 O\n0.000000 0.901716 0.518654 O\n0.500000 0.422270 0.978115 O\n0.500000 0.076021 0.484406 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn-Sr",
"density": 5.928861454973444,
"density_atomic": 0.07363479750210497,
"volume": 271.6107150213629,
"volume_molar": 8.178389788914469,
"formula_full": "Sr3 Ca1 Sn4 O12",
"formula_reduced": "Sr3Ca(SnO3)4",
"formula_anonymous": "AB3C4D12",
"energy": -135.24970193,
"energy_per_atom": -6.762485096499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.00570193,
"band_gap": 1.8809,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.620000Z",
"spacegroup": 6
},
{
"id": "mp-1111673",
"created_at": "2022-09-04T14:46:28.416562Z",
"structure_string": "K2 Li1 Gd1 Cl6\n1.0\n0.000000 5.224031 5.224031\n5.224031 0.000000 5.224031\n5.224031 5.224031 0.000000\nK Li Gd Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Gd\n0.745789 0.254211 0.254211 Cl\n0.254211 0.254211 0.745789 Cl\n0.254211 0.745789 0.745789 Cl\n0.254211 0.745789 0.254211 Cl\n0.745789 0.254211 0.745789 Cl\n0.745789 0.745789 0.254211 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Li",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-K-Li",
"density": 2.650416002154653,
"density_atomic": 0.03507137298035362,
"volume": 285.13283485085765,
"volume_molar": 17.171100667696983,
"formula_full": "K2 Li1 Gd1 Cl6",
"formula_reduced": "K2LiGdCl6",
"formula_anonymous": "ABC2D6",
"energy": -53.55226539,
"energy_per_atom": -5.355226539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.86826539,
"band_gap": 2.8434,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.0000109,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.128000Z",
"spacegroup": 225
},
{
"id": "mp-25390",
"created_at": "2022-09-04T14:46:28.544660Z",
"structure_string": "Li4 Co2 P2 O8 F2\n1.0\n5.338332 0.000000 0.000000\n-0.383620 5.343849 0.000000\n-2.354543 -2.553045 6.633727\nLi Co P O F\n4 2 2 8 2\ndirect\n0.164911 0.546618 0.121076 Li\n0.522513 0.150754 0.860811 Li\n0.484722 0.958102 0.478055 Li\n0.772948 0.454171 0.708658 Li\n0.009741 0.000789 0.019924 Co\n0.988901 0.996610 0.504618 Co\n0.663576 0.374363 0.260497 P\n0.339824 0.629291 0.766950 P\n0.272750 0.791756 0.624459 O\n0.722372 0.241237 0.422546 O\n0.322659 0.323839 0.657580 O\n0.140260 0.659084 0.882753 O\n0.865187 0.329800 0.147095 O\n0.377329 0.253115 0.094562 O\n0.672241 0.677189 0.363809 O\n0.637678 0.738052 0.906515 O\n0.825440 0.109194 0.748302 F\n0.144830 0.897669 0.273199 F\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Co",
"P",
"O",
"F"
],
"chemical_system": "Co-F-Li-O-P",
"density": 3.2779599627600122,
"density_atomic": 0.09511634479758446,
"volume": 189.2419230186516,
"volume_molar": 6.331341656174467,
"formula_full": "Li4 Co2 P2 O8 F2",
"formula_reduced": "Li2CoPO4F",
"formula_anonymous": "ABCD2E4",
"energy": -121.50339186,
"energy_per_atom": -6.750188436666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.80739186,
"band_gap": 2.8292,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.370000Z",
"spacegroup": 1
},
{
"id": "mp-1226622",
"created_at": "2022-09-04T14:46:26.519223Z",
"structure_string": "Ce2 Ga2 Ag2\n1.0\n2.337249 5.259917 0.000000\n-2.337249 5.259917 0.000000\n0.000000 4.883091 5.455472\nCe Ga Ag\n2 2 2\ndirect\n0.531948 0.531948 0.709477 Ce\n0.468052 0.468052 0.290523 Ce\n0.841250 0.841250 0.111634 Ga\n0.158750 0.158750 0.888366 Ga\n0.172302 0.172302 0.276117 Ag\n0.827698 0.827698 0.723883 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Ga",
"Ag"
],
"chemical_system": "Ag-Ce-Ga",
"density": 7.866108810409565,
"density_atomic": 0.044730633589165965,
"volume": 134.13626230085944,
"volume_molar": 13.463124209934286,
"formula_full": "Ce2 Ga2 Ag2",
"formula_reduced": "CeGaAg",
"formula_anonymous": "ABC",
"energy": -25.87620792,
"energy_per_atom": -4.3127013199999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.87620792,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.3314632,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.056000Z",
"spacegroup": 12
}
]
}