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=-chemical_system&page=93",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=91",
"results": [
{
"id": "mp-1217871",
"created_at": "2022-09-04T14:45:21.115135Z",
"structure_string": "Tb12 Si5 S28\n1.0\n9.848672 0.000000 0.000000\n4.923317 10.262155 0.000000\n4.922371 3.871331 9.512562\nTb Si S\n12 5 28\ndirect\n0.231846 0.932088 0.700545 Tb\n0.218319 0.465158 0.186490 Tb\n0.650243 0.703341 0.425947 Tb\n0.634873 0.185632 0.950980 Tb\n0.131806 0.746955 0.469540 Tb\n0.131101 0.234057 0.001076 Tb\n0.780426 0.041997 0.303895 Tb\n0.773324 0.569663 0.798092 Tb\n0.367132 0.315606 0.545914 Tb\n0.345351 0.806651 0.065971 Tb\n0.861511 0.270949 0.502213 Tb\n0.871534 0.761441 0.019893 Tb\n0.334073 0.086794 0.251122 Si\n0.333301 0.582420 0.745327 Si\n0.666570 0.004383 0.662603 Si\n0.666751 0.505084 0.160790 Si\n0.000919 0.228775 0.771132 Si\n0.332746 0.901079 0.433678 S\n0.333444 0.399458 0.932117 S\n0.673398 0.313284 0.339492 S\n0.660197 0.826570 0.853510 S\n0.107829 0.236733 0.252453 S\n0.103667 0.725724 0.739898 S\n0.470277 0.208238 0.221624 S\n0.485947 0.693017 0.709533 S\n0.413761 0.045158 0.062990 S\n0.421136 0.544262 0.556724 S\n0.894956 0.007142 0.518760 S\n0.895344 0.507068 0.014965 S\n0.521002 0.036045 0.547958 S\n0.526098 0.535674 0.042902 S\n0.582126 0.193529 0.702226 S\n0.580089 0.692495 0.202119 S\n0.138855 0.225508 0.548134 S\n0.164786 0.736673 0.999619 S\n0.737716 0.916150 0.181433 S\n0.774048 0.383888 0.705001 S\n0.095147 0.949220 0.215753 S\n0.088859 0.409494 0.729850 S\n0.839216 0.742331 0.516413 S\n0.850943 0.236741 0.999187 S\n0.235821 0.075912 0.838220 S\n0.258505 0.563318 0.337996 S\n0.913662 0.043693 0.806660 S\n0.901346 0.533103 0.306757 S\n",
"nsites": 45,
"nelements": 3,
"elements": [
"Tb",
"Si",
"S"
],
"chemical_system": "S-Si-Tb",
"density": 5.087126225770706,
"density_atomic": 0.04680570266949631,
"volume": 961.4213105132358,
"volume_molar": 12.866254359054166,
"formula_full": "Tb12 Si5 S28",
"formula_reduced": "Tb12Si5S28",
"formula_anonymous": "A5B12C28",
"energy": -284.36656158,
"energy_per_atom": -6.319256924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.28256158,
"band_gap": 1.7126,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0078449,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.850000Z",
"spacegroup": 1
},
{
"id": "mp-1104926",
"created_at": "2022-09-04T14:46:07.595470Z",
"structure_string": "Sr4 Si2 S8\n1.0\n6.687479 0.000000 0.000000\n0.000000 6.680482 0.000000\n0.000000 2.569917 7.876471\nSr Si S\n4 2 8\ndirect\n0.250000 0.721824 0.949192 Sr\n0.750000 0.278176 0.050808 Sr\n0.250000 0.767318 0.431746 Sr\n0.750000 0.232682 0.568254 Sr\n0.250000 0.277263 0.799242 Si\n0.750000 0.722737 0.200758 Si\n0.250000 0.109519 0.064047 S\n0.750000 0.890481 0.935953 S\n0.250000 0.086430 0.633539 S\n0.750000 0.913570 0.366461 S\n0.497747 0.487697 0.740163 S\n0.997747 0.512303 0.259837 S\n0.502253 0.512303 0.259837 S\n0.002253 0.487697 0.740163 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sr",
"Si",
"S"
],
"chemical_system": "S-Si-Sr",
"density": 3.129483861475386,
"density_atomic": 0.039785619782910196,
"volume": 351.885934576132,
"volume_molar": 15.1364759248687,
"formula_full": "Sr4 Si2 S8",
"formula_reduced": "Sr2SiS4",
"formula_anonymous": "AB2C4",
"energy": -76.72599449,
"energy_per_atom": -5.480428177857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -72.70199449,
"band_gap": 2.8995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024943,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:21.750000Z",
"spacegroup": 11
},
{
"id": "mp-1192397",
"created_at": "2022-09-04T14:43:43.686047Z",
"structure_string": "Si4 Sn8 S16\n1.0\n-7.446632 0.000000 3.750430\n0.000000 -8.464932 0.000000\n7.444886 0.000000 7.588768\nSi Sn S\n4 8 16\ndirect\n0.313467 0.212918 0.019979 Si\n0.186533 0.712918 0.480021 Si\n0.686533 0.787082 0.980021 Si\n0.813467 0.287082 0.519979 Si\n0.746846 0.345612 0.196654 Sn\n0.753154 0.845612 0.303346 Sn\n0.253154 0.654388 0.803346 Sn\n0.246846 0.154388 0.696654 Sn\n0.385651 0.243781 0.391196 Sn\n0.114349 0.743781 0.108804 Sn\n0.614349 0.756219 0.608804 Sn\n0.885651 0.256219 0.891196 Sn\n0.495453 0.119739 0.194635 S\n0.004547 0.619739 0.305365 S\n0.504547 0.880261 0.805365 S\n0.995453 0.380261 0.694635 S\n0.148016 0.036498 0.900045 S\n0.351984 0.536498 0.599955 S\n0.851984 0.963502 0.099955 S\n0.648016 0.463502 0.400045 S\n0.444572 0.318593 0.898980 S\n0.055428 0.818593 0.601020 S\n0.555428 0.681407 0.101020 S\n0.944572 0.181407 0.398980 S\n0.150012 0.365362 0.083856 S\n0.349988 0.865362 0.416144 S\n0.849988 0.634638 0.916144 S\n0.650012 0.134638 0.583856 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Si",
"Sn",
"S"
],
"chemical_system": "S-Si-Sn",
"density": 3.659440813561365,
"density_atomic": 0.03917653370556802,
"volume": 714.7135632374863,
"volume_molar": 15.371806003204656,
"formula_full": "Si4 Sn8 S16",
"formula_reduced": "Si(SnS2)2",
"formula_anonymous": "AB2C4",
"energy": -143.00689569,
"energy_per_atom": -5.107389131785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.95889569,
"band_gap": 2.1185000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003449,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.518000Z",
"spacegroup": 14
},
{
"id": "mp-1196898",
"created_at": "2022-09-04T14:40:59.921423Z",
"structure_string": "Sm8 Si6 S24\n1.0\n6.114166 -9.556612 0.000000\n6.114166 9.556612 0.000000\n-8.823086 0.000000 7.131971\nSm Si S\n8 6 24\ndirect\n0.501724 0.501724 0.501724 Sm\n0.001724 0.001724 0.001724 Sm\n0.068756 0.293185 0.528315 Sm\n0.293185 0.528315 0.068756 Sm\n0.528315 0.068756 0.293185 Sm\n0.568756 0.028315 0.793185 Sm\n0.028315 0.793185 0.568756 Sm\n0.793185 0.568756 0.028315 Sm\n0.359634 0.146966 0.532884 Si\n0.146966 0.532884 0.359634 Si\n0.532884 0.359634 0.146966 Si\n0.859634 0.032884 0.646966 Si\n0.032884 0.646966 0.859634 Si\n0.646966 0.859634 0.032884 Si\n0.109758 0.184587 0.716464 S\n0.184587 0.716464 0.109758 S\n0.716464 0.109758 0.184587 S\n0.609758 0.216464 0.684587 S\n0.216464 0.684587 0.609758 S\n0.684587 0.609758 0.216464 S\n0.313886 0.127883 0.316587 S\n0.127883 0.316587 0.313886 S\n0.316587 0.313886 0.127883 S\n0.813886 0.816587 0.627883 S\n0.816587 0.627883 0.813886 S\n0.627883 0.813886 0.816587 S\n0.413553 0.380905 0.700155 S\n0.380905 0.700155 0.413553 S\n0.700155 0.413553 0.380905 S\n0.913553 0.200155 0.880905 S\n0.200155 0.880905 0.913553 S\n0.880905 0.913553 0.200155 S\n0.649503 0.919940 0.382316 S\n0.919940 0.382316 0.649503 S\n0.382316 0.649503 0.919940 S\n0.149503 0.882316 0.419940 S\n0.882316 0.419940 0.149503 S\n0.419940 0.149503 0.882316 S\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Sm",
"Si",
"S"
],
"chemical_system": "S-Si-Sm",
"density": 4.265554419476886,
"density_atomic": 0.04559349165588723,
"volume": 833.4522893486986,
"volume_molar": 13.208334218952926,
"formula_full": "Sm8 Si6 S24",
"formula_reduced": "Sm4(SiS4)3",
"formula_anonymous": "A3B4C12",
"energy": -234.80687525,
"energy_per_atom": -6.179128296052632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -222.73487525,
"band_gap": 2.1071,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0013652,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:10.421000Z",
"spacegroup": 161
},
{
"id": "mp-557561",
"created_at": "2022-09-04T14:44:30.589456Z",
"structure_string": "Sm12 Si8 S34\n1.0\n8.938018 0.000000 0.000000\n0.175185 9.889801 0.000000\n0.658239 1.953006 14.028652\nSm Si S\n12 8 34\ndirect\n0.912840 0.918931 0.834494 Sm\n0.664590 0.591150 0.657681 Sm\n0.087160 0.081069 0.165506 Sm\n0.012061 0.766465 0.463802 Sm\n0.363610 0.060514 0.678276 Sm\n0.449967 0.737619 0.002024 Sm\n0.105934 0.383896 0.814195 Sm\n0.636390 0.939486 0.321724 Sm\n0.987939 0.233535 0.536198 Sm\n0.550033 0.262381 0.997976 Sm\n0.894066 0.616104 0.185805 Sm\n0.335410 0.408850 0.342319 Sm\n0.767970 0.560522 0.900552 Si\n0.248433 0.059240 0.922564 Si\n0.232030 0.439478 0.099448 Si\n0.720617 0.943913 0.607270 Si\n0.750005 0.499478 0.416429 Si\n0.249995 0.500522 0.583571 Si\n0.751567 0.940760 0.077436 Si\n0.279383 0.056087 0.392730 Si\n0.487527 0.153884 0.397464 S\n0.700140 0.695093 0.458943 S\n0.697125 0.365547 0.541741 S\n0.658870 0.000500 0.942406 S\n0.991321 0.625639 0.883452 S\n0.109473 0.202693 0.343117 S\n0.008679 0.374361 0.116548 S\n0.985899 0.508995 0.377383 S\n0.644769 0.467090 0.291929 S\n0.341130 0.999500 0.057594 S\n0.322072 0.483021 0.955718 S\n0.816411 0.021261 0.468786 S\n0.686407 0.087476 0.702604 S\n0.749237 0.383691 0.830660 S\n0.370252 0.280007 0.166537 S\n0.744862 0.118835 0.149070 S\n0.512473 0.846116 0.602536 S\n0.677928 0.516979 0.044282 S\n0.299860 0.304907 0.541057 S\n0.937336 0.858598 0.279746 S\n0.038070 0.151007 0.952113 S\n0.620004 0.786208 0.162428 S\n0.961930 0.848993 0.047887 S\n0.250763 0.616309 0.169340 S\n0.014101 0.491005 0.622617 S\n0.629748 0.719993 0.833463 S\n0.255138 0.881165 0.850930 S\n0.379996 0.213792 0.837572 S\n0.313593 0.912524 0.297396 S\n0.890527 0.797307 0.656883 S\n0.355231 0.532910 0.708071 S\n0.183589 0.978739 0.531214 S\n0.062664 0.141402 0.720254 S\n0.302875 0.634453 0.458259 S\n",
"nsites": 54,
"nelements": 3,
"elements": [
"Sm",
"Si",
"S"
],
"chemical_system": "S-Si-Sm",
"density": 4.176856442702489,
"density_atomic": 0.043546077371152805,
"volume": 1240.0657707867947,
"volume_molar": 13.82935300617773,
"formula_full": "Sm12 Si8 S34",
"formula_reduced": "Sm6Si4S17",
"formula_anonymous": "A4B6C17",
"energy": -335.95543594,
"energy_per_atom": -6.221396961851851,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -318.85343594,
"band_gap": 2.3161,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0160406,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:43.194000Z",
"spacegroup": 2
},
{
"id": "mp-1080657",
"created_at": "2022-09-04T14:45:13.894354Z",
"structure_string": "Si2 S8\n1.0\n4.710985 0.000000 0.000000\n0.000000 6.882284 0.000000\n0.000000 0.437708 7.644791\nSi S\n2 8\ndirect\n0.250000 0.617961 0.651658 Si\n0.750000 0.382039 0.348342 Si\n0.525688 0.746878 0.834947 S\n0.025688 0.253122 0.165053 S\n0.474312 0.253122 0.165053 S\n0.974312 0.746878 0.834947 S\n0.250000 0.740275 0.387375 S\n0.750000 0.259725 0.612625 S\n0.250000 0.303063 0.658286 S\n0.750000 0.696937 0.341714 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 2.0948578119648875,
"density_atomic": 0.0403450327006464,
"volume": 247.86198772469413,
"volume_molar": 14.926597791315,
"formula_full": "Si2 S8",
"formula_reduced": "SiS4",
"formula_anonymous": "AB4",
"energy": -48.49777355,
"energy_per_atom": -4.849777355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.47377355,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004249,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:54.852000Z",
"spacegroup": 11
},
{
"id": "mp-1023900",
"created_at": "2022-09-04T14:47:42.581038Z",
"structure_string": "Si4 S4\n1.0\n3.985430 0.000000 0.000000\n0.000000 6.642900 0.000000\n0.000000 0.000000 23.998330\nSi S\n4 4\ndirect\n0.750000 0.750000 0.027324 Si\n0.750000 0.250000 0.027324 Si\n0.250000 0.750000 0.972676 Si\n0.250000 0.250000 0.972676 Si\n0.795253 0.500000 0.084831 S\n0.704747 0.000000 0.084831 S\n0.204747 0.500000 0.915169 S\n0.295253 0.000000 0.915169 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 0.6288316745264756,
"density_atomic": 0.0125914592884635,
"volume": 635.3512977903785,
"volume_molar": 47.8271868417792,
"formula_full": "Si4 S4",
"formula_reduced": "SiS",
"formula_anonymous": "AB",
"energy": -43.62015764,
"energy_per_atom": -5.452519705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -41.60815764,
"band_gap": 0.4776,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003113,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.636000Z",
"spacegroup": 53
},
{
"id": "mp-7583",
"created_at": "2022-09-04T14:45:22.684725Z",
"structure_string": "Si2 S4\n1.0\n-2.825233 2.825233 4.351776\n2.825233 -2.825233 4.351776\n2.825233 2.825233 -4.351776\nSi S\n2 4\ndirect\n0.000000 0.000000 0.000000 Si\n0.750000 0.250000 0.500000 Si\n0.375000 0.338282 0.463282 S\n0.661718 0.125000 0.036718 S\n0.088282 0.625000 0.963282 S\n0.875000 0.911718 0.536718 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 2.204184549001174,
"density_atomic": 0.04318333562044136,
"volume": 138.94248588707507,
"volume_molar": 13.945520125937993,
"formula_full": "Si2 S4",
"formula_reduced": "SiS2",
"formula_anonymous": "AB2",
"energy": -33.15368795,
"energy_per_atom": -5.525614658333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.14168795,
"band_gap": 3.3111999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003326,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:57.196000Z",
"spacegroup": 122
},
{
"id": "mp-1194773",
"created_at": "2022-09-04T14:43:43.455374Z",
"structure_string": "Si12 S24\n1.0\n7.628446 0.000000 0.000000\n0.000000 7.445262 0.000000\n0.000000 3.109223 14.774887\nSi S\n12 24\ndirect\n0.869716 0.634736 0.000687 Si\n0.369716 0.365264 0.499313 Si\n0.130284 0.365264 0.999313 Si\n0.630284 0.634736 0.500687 Si\n0.629594 0.800571 0.165670 Si\n0.129594 0.199429 0.334330 Si\n0.370406 0.199429 0.834330 Si\n0.870406 0.800571 0.665670 Si\n0.361401 0.056956 0.164177 Si\n0.861401 0.943044 0.335823 Si\n0.638599 0.943044 0.835823 Si\n0.138599 0.056956 0.664177 Si\n0.885836 0.416224 0.927124 S\n0.385836 0.583776 0.572876 S\n0.114164 0.583776 0.072876 S\n0.614164 0.416224 0.427124 S\n0.868645 0.911714 0.921331 S\n0.368645 0.088286 0.578669 S\n0.131355 0.088286 0.078669 S\n0.631355 0.911714 0.421331 S\n0.637606 0.592382 0.084450 S\n0.137606 0.407618 0.415550 S\n0.362394 0.407618 0.915550 S\n0.862394 0.592382 0.584450 S\n0.858959 0.743269 0.250081 S\n0.358959 0.256731 0.249919 S\n0.141041 0.256731 0.749919 S\n0.641041 0.743269 0.750081 S\n0.610613 0.082481 0.096708 S\n0.110613 0.917519 0.403292 S\n0.389387 0.917519 0.903292 S\n0.889387 0.082481 0.596708 S\n0.380086 0.774856 0.233066 S\n0.880086 0.225144 0.266934 S\n0.619914 0.225144 0.766934 S\n0.119914 0.774856 0.733066 S\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 2.1897475005528024,
"density_atomic": 0.04290049183188604,
"volume": 839.1512186170974,
"volume_molar": 14.037463215104703,
"formula_full": "Si12 S24",
"formula_reduced": "SiS2",
"formula_anonymous": "AB2",
"energy": -199.18617266,
"energy_per_atom": -5.532949240555556,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -187.11417266,
"band_gap": 2.8837,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008266,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.931000Z",
"spacegroup": 14
},
{
"id": "mp-1602",
"created_at": "2022-09-04T14:48:29.943350Z",
"structure_string": "Si2 S4\n1.0\n-2.792576 3.107134 5.463380\n2.792576 -3.107134 5.463380\n2.792576 3.107134 -5.463380\nSi S\n2 4\ndirect\n0.000000 0.750000 0.750000 Si\n0.000000 0.250000 0.250000 Si\n0.708947 0.894547 0.814399 S\n0.291053 0.105453 0.185601 S\n0.919852 0.605453 0.314399 S\n0.080148 0.394547 0.685601 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 1.6150896502851921,
"density_atomic": 0.0316420684724297,
"volume": 189.6209789580573,
"volume_molar": 19.032070438906985,
"formula_full": "Si2 S4",
"formula_reduced": "SiS2",
"formula_anonymous": "AB2",
"energy": -33.46412016,
"energy_per_atom": -5.57735336,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.45212016,
"band_gap": 3.0953,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.1e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:48.919000Z",
"spacegroup": 72
},
{
"id": "mp-1095294",
"created_at": "2022-09-04T14:48:29.914371Z",
"structure_string": "Si4 S8\n1.0\n8.080066 0.000000 0.000000\n0.000000 5.942923 0.000000\n0.000000 1.786062 6.472685\nSi S\n4 8\ndirect\n0.635141 0.390553 0.115156 Si\n0.135141 0.109447 0.884844 Si\n0.364859 0.609447 0.884844 Si\n0.864859 0.890553 0.115156 Si\n0.398524 0.488007 0.212726 S\n0.898524 0.011993 0.787274 S\n0.601476 0.511993 0.787274 S\n0.101476 0.988007 0.212726 S\n0.847992 0.517417 0.242126 S\n0.347992 0.982583 0.757874 S\n0.152008 0.482583 0.757874 S\n0.652008 0.017417 0.242126 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Si",
"S"
],
"chemical_system": "S-Si",
"density": 1.970668299451939,
"density_atomic": 0.038608396293477606,
"volume": 310.8132207508253,
"volume_molar": 15.598008045253524,
"formula_full": "Si4 S8",
"formula_reduced": "SiS2",
"formula_anonymous": "AB2",
"energy": -66.66512537,
"energy_per_atom": -5.555427114166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.64112537,
"band_gap": 3.3924000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019231,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:50.023000Z",
"spacegroup": 14
},
{
"id": "mp-1215215",
"created_at": "2022-09-04T14:39:06.502108Z",
"structure_string": "Zr1 Se1 S1\n1.0\n-1.874490 -3.246704 0.000181\n-1.874483 3.246700 0.000000\n0.000289 0.000167 -6.282866\nZr Se S\n1 1 1\ndirect\n0.999999 0.999999 0.013137 Zr\n0.666619 0.333310 0.751218 Se\n0.333382 0.666691 0.235645 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Zr",
"Se",
"S"
],
"chemical_system": "S-Se-Zr",
"density": 4.391601687294865,
"density_atomic": 0.039229133689485704,
"volume": 76.47377644753007,
"volume_molar": 15.35119487385996,
"formula_full": "Zr1 Se1 S1",
"formula_reduced": "ZrSeS",
"formula_anonymous": "ABC",
"energy": -21.414199850000003,
"energy_per_atom": -7.138066616666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.43919985,
"band_gap": 0.5579999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009475,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.323000Z",
"spacegroup": 156
}
]
}