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=-formula_reduced&page=70",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=68",
"results": [
{
"id": "mp-1247002",
"created_at": "2022-09-04T14:42:10.174915Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n12.850904 0.000000 -5.742211\n0.000000 3.604342 0.000000\n-0.111415 0.000000 6.191871\nZr Cr Ag S\n2 2 2 8\ndirect\n0.754588 0.000000 0.757462 Zr\n0.745412 0.500000 0.242538 Zr\n0.241534 0.000000 0.226639 Cr\n0.258466 0.500000 0.773361 Cr\n0.016640 0.500000 0.512565 Ag\n0.483360 0.000000 0.487435 Ag\n0.144655 0.500000 0.979304 S\n0.872721 0.500000 0.036077 S\n0.627279 0.000000 0.963923 S\n0.355345 0.000000 0.020696 S\n0.155937 0.000000 0.496904 S\n0.868915 0.000000 0.528009 S\n0.631085 0.500000 0.471991 S\n0.344063 0.500000 0.503096 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.428346490885725,
"density_atomic": 0.04920989006136914,
"volume": 284.4956569206057,
"volume_molar": 12.237663511318255,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -91.39104695,
"energy_per_atom": -6.527931925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.36704695,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.5976948,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.513000Z",
"spacegroup": 11
},
{
"id": "mp-1247190",
"created_at": "2022-09-04T14:43:23.228690Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n12.887577 0.000000 -5.592527\n0.000000 3.633809 0.000000\n-0.054104 0.000000 6.141896\nZr Cr Ag S\n2 2 2 8\ndirect\n0.247230 0.000000 0.226939 Zr\n0.752770 0.000000 0.773061 Zr\n0.744343 0.500000 0.228807 Cr\n0.255657 0.500000 0.771193 Cr\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.130931 0.500000 0.964308 S\n0.869069 0.500000 0.035692 S\n0.634013 0.000000 0.986934 S\n0.365987 0.000000 0.013066 S\n0.152773 0.000000 0.517627 S\n0.847227 0.000000 0.482373 S\n0.641985 0.500000 0.467023 S\n0.358015 0.500000 0.532977 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.396881302111782,
"density_atomic": 0.04886023393497686,
"volume": 286.5315794155055,
"volume_molar": 12.325239310180665,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -91.71068633,
"energy_per_atom": -6.550763309285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.68668633,
"band_gap": 0.7057000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0007162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.428000Z",
"spacegroup": 10
},
{
"id": "mp-1239237",
"created_at": "2022-09-04T14:46:28.564272Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n12.074894 0.000000 0.000000\n0.000000 3.613648 0.000000\n0.000000 0.000000 12.471878\nZr Cr Ag S\n4 4 4 16\ndirect\n0.151291 0.250000 0.711407 Zr\n0.848709 0.750000 0.288593 Zr\n0.348709 0.750000 0.211407 Zr\n0.651291 0.250000 0.788593 Zr\n0.108343 0.250000 0.072415 Cr\n0.891657 0.750000 0.927585 Cr\n0.391657 0.750000 0.572415 Cr\n0.608343 0.250000 0.427585 Cr\n0.138050 0.750000 0.412714 Ag\n0.861950 0.250000 0.587286 Ag\n0.361950 0.250000 0.912714 Ag\n0.638050 0.750000 0.087286 Ag\n0.044076 0.750000 0.616083 S\n0.955924 0.250000 0.383917 S\n0.455924 0.250000 0.116083 S\n0.544076 0.750000 0.883917 S\n0.027184 0.250000 0.889003 S\n0.972816 0.750000 0.110997 S\n0.472816 0.750000 0.389003 S\n0.527184 0.250000 0.610997 S\n0.198711 0.250000 0.250025 S\n0.801289 0.750000 0.749975 S\n0.301289 0.750000 0.750025 S\n0.698711 0.250000 0.249975 S\n0.230605 0.750000 0.030493 S\n0.769395 0.250000 0.969507 S\n0.269395 0.250000 0.530493 S\n0.730605 0.750000 0.469507 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.630055573126389,
"density_atomic": 0.05145137721280868,
"volume": 544.2031198540877,
"volume_molar": 11.704527820687382,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -181.15485653,
"energy_per_atom": -6.4698163046428565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.10685653,
"band_gap": 0.7975000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.007897,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.965000Z",
"spacegroup": 62
},
{
"id": "mp-1246366",
"created_at": "2022-09-04T14:44:30.729174Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n-3.572438 -6.187687 -0.000045\n-5.300685 3.060364 0.126791\n0.102140 -0.059042 -6.564361\nZr Cr Ag S\n2 2 2 8\ndirect\n0.764711 0.500014 0.499997 Zr\n0.483637 0.000010 0.499995 Zr\n0.247702 0.499999 0.500012 Cr\n0.002044 0.999975 0.499989 Cr\n0.006358 0.000001 0.999996 Ag\n0.493432 0.999993 0.999996 Ag\n0.015287 0.315973 0.286648 S\n0.490967 0.337602 0.280052 S\n0.236071 0.813171 0.282058 S\n0.758740 0.836214 0.277742 S\n0.236065 0.186820 0.717960 S\n0.758737 0.163802 0.722255 S\n0.490959 0.662407 0.719941 S\n0.015288 0.684019 0.713358 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.3902348125518715,
"density_atomic": 0.048786374985319146,
"volume": 286.96536695364017,
"volume_molar": 12.343898807427667,
"formula_full": "Zr2 Cr2 Ag2 S8",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -91.78129832,
"energy_per_atom": -6.5558070228571435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.75729832,
"band_gap": 0.6181000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0002195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.542000Z",
"spacegroup": 3
},
{
"id": "mp-1247010",
"created_at": "2022-09-04T14:45:40.182973Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n11.376685 0.000000 0.000000\n0.000000 3.623525 0.000000\n0.000000 0.000000 13.161923\nZr Cr Ag S\n4 4 4 16\ndirect\n0.934679 0.750000 0.899897 Zr\n0.565321 0.250000 0.399897 Zr\n0.087182 0.250000 0.587234 Zr\n0.412818 0.750000 0.087234 Zr\n0.051005 0.250000 0.119557 Cr\n0.448995 0.750000 0.619557 Cr\n0.926336 0.750000 0.401386 Cr\n0.573664 0.250000 0.901386 Cr\n0.243106 0.250000 0.316669 Ag\n0.754956 0.750000 0.672689 Ag\n0.256894 0.750000 0.816669 Ag\n0.745044 0.250000 0.172689 Ag\n0.037081 0.750000 0.717430 S\n0.963789 0.250000 0.288425 S\n0.462919 0.250000 0.217430 S\n0.536211 0.750000 0.788425 S\n0.088149 0.250000 0.938424 S\n0.910157 0.750000 0.088254 S\n0.411851 0.750000 0.438424 S\n0.589843 0.250000 0.588254 S\n0.126899 0.750000 0.454321 S\n0.878400 0.250000 0.521001 S\n0.373101 0.250000 0.954321 S\n0.621600 0.750000 0.021001 S\n0.190521 0.750000 0.152316 S\n0.786357 0.250000 0.842399 S\n0.309479 0.250000 0.652316 S\n0.713643 0.750000 0.342399 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.643878940623208,
"density_atomic": 0.0516049890397505,
"volume": 542.5831982724005,
"volume_molar": 11.669687121454947,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -181.1399597,
"energy_per_atom": -6.469284275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.0919597,
"band_gap": 0.4188999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0037948,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.489000Z",
"spacegroup": 31
},
{
"id": "mp-1246425",
"created_at": "2022-09-04T14:44:56.624924Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.584044 0.000000 0.000000\n0.000000 7.441082 0.000000\n0.000000 0.000000 10.263846\nZr Cr Ag S\n4 4 4 16\ndirect\n0.750000 0.002788 0.375000 Zr\n0.750000 0.497212 0.875000 Zr\n0.250000 0.997212 0.375000 Zr\n0.250000 0.502788 0.875000 Zr\n0.000508 0.250000 0.625000 Cr\n0.999492 0.750000 0.625000 Cr\n0.500508 0.750000 0.125000 Cr\n0.499492 0.250000 0.125000 Cr\n0.000000 0.000000 0.019375 Ag\n0.500000 0.500000 0.519375 Ag\n0.500000 0.000000 0.730625 Ag\n0.000000 0.500000 0.230625 Ag\n0.001300 0.235544 0.386239 S\n0.792126 0.999798 0.624071 S\n0.998700 0.764456 0.386239 S\n0.707874 0.500202 0.124071 S\n0.501300 0.764456 0.363761 S\n0.292126 0.000202 0.125929 S\n0.498700 0.235544 0.363761 S\n0.707874 0.999798 0.125929 S\n0.501300 0.735544 0.886239 S\n0.292126 0.499798 0.124071 S\n0.498700 0.264456 0.886239 S\n0.207874 0.000202 0.624071 S\n0.001300 0.264456 0.863761 S\n0.792126 0.500202 0.625929 S\n0.998700 0.735544 0.863761 S\n0.207874 0.499798 0.625929 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.3501093025425615,
"density_atomic": 0.04834048125494404,
"volume": 579.2246844281528,
"volume_molar": 12.457759218903274,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -183.976563,
"energy_per_atom": -6.570591535714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.928563,
"band_gap": 0.3765999999999994,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9997395,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.516000Z",
"spacegroup": 74
},
{
"id": "mp-1246474",
"created_at": "2022-09-04T14:46:19.718287Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n6.633744 -0.006262 0.558468\n-0.064837 7.681791 1.161581\n-0.086472 -0.105466 12.906278\nZr Cr Ag S\n4 4 4 16\ndirect\n0.856125 0.294862 0.306632 Zr\n0.240010 0.873954 0.999942 Zr\n0.759573 0.113799 0.999791 Zr\n0.632420 0.451089 0.696395 Zr\n0.153140 0.705668 0.702801 Cr\n0.360915 0.553206 0.295978 Cr\n0.366049 0.047747 0.296269 Cr\n0.627875 0.943866 0.701155 Cr\n0.133957 0.199004 0.695668 Ag\n0.878846 0.797765 0.307998 Ag\n0.251604 0.385980 0.000002 Ag\n0.743733 0.636001 0.999825 Ag\n0.116545 0.668207 0.876425 S\n0.877503 0.336489 0.117842 S\n0.094716 0.142507 0.896113 S\n0.906458 0.855892 0.107883 S\n0.233634 0.785544 0.358331 S\n0.784845 0.202789 0.625193 S\n0.210177 0.286027 0.359445 S\n0.832016 0.726430 0.641282 S\n0.325888 0.941308 0.636916 S\n0.662567 0.033935 0.374367 S\n0.299832 0.485289 0.627330 S\n0.662861 0.532204 0.370165 S\n0.411601 0.074788 0.116211 S\n0.582226 0.923654 0.881842 S\n0.379978 0.606883 0.121669 S\n0.614907 0.395115 0.886527 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 3.824235632413424,
"density_atomic": 0.04249672319615502,
"volume": 658.8743294573205,
"volume_molar": 14.170835554080712,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -178.21190242,
"energy_per_atom": -6.364710800714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -170.16390242,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0013464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.792000Z",
"spacegroup": 1
},
{
"id": "mp-1246342",
"created_at": "2022-09-04T14:45:00.584135Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n11.383221 0.000000 0.000000\n0.000000 3.623983 0.000000\n0.000000 0.000000 13.243966\nZr Cr Ag S\n4 4 4 16\ndirect\n0.057754 0.250000 0.117229 Zr\n0.557754 0.250000 0.382771 Zr\n0.086714 0.250000 0.595622 Zr\n0.586714 0.250000 0.904378 Zr\n0.945202 0.750000 0.889608 Cr\n0.445202 0.750000 0.610392 Cr\n0.917005 0.750000 0.405161 Cr\n0.417005 0.750000 0.094839 Cr\n0.246781 0.250000 0.329943 Ag\n0.758176 0.750000 0.665171 Ag\n0.258176 0.750000 0.834829 Ag\n0.746781 0.250000 0.170057 Ag\n0.021361 0.750000 0.716686 S\n0.964513 0.250000 0.291599 S\n0.464513 0.250000 0.208401 S\n0.521361 0.750000 0.783314 S\n0.083476 0.250000 0.922790 S\n0.906959 0.750000 0.067211 S\n0.406959 0.750000 0.432789 S\n0.583476 0.250000 0.577210 S\n0.118175 0.750000 0.458959 S\n0.875092 0.250000 0.520581 S\n0.375092 0.250000 0.979419 S\n0.618175 0.750000 0.041041 S\n0.213126 0.750000 0.160464 S\n0.805666 0.250000 0.849421 S\n0.305666 0.250000 0.650579 S\n0.713126 0.750000 0.339536 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.611878470474356,
"density_atomic": 0.051249384612414434,
"volume": 546.3480237227551,
"volume_molar": 11.750659652879467,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -181.28942628,
"energy_per_atom": -6.474622367142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.24142628,
"band_gap": 0.5609999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0140453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.615000Z",
"spacegroup": 26
},
{
"id": "mp-1246994",
"created_at": "2022-09-04T14:43:11.890676Z",
"structure_string": "Zr4 Cr4 Ag4 S16\n1.0\n7.437443 0.051589 0.022070\n0.051589 7.437443 0.022070\n0.036920 0.036920 10.536334\nZr Cr Ag S\n4 4 4 16\ndirect\n0.001529 0.239409 0.622984 Zr\n0.739409 0.001529 0.372984 Zr\n0.501529 0.739409 0.122984 Zr\n0.239409 0.501529 0.872984 Zr\n0.003012 0.749455 0.624042 Cr\n0.749455 0.503012 0.874042 Cr\n0.249455 0.003012 0.374042 Cr\n0.503012 0.249455 0.124042 Cr\n0.011792 0.996329 0.004412 Ag\n0.511792 0.496329 0.504412 Ag\n0.496329 0.011792 0.754412 Ag\n0.996329 0.511792 0.254412 Ag\n0.005034 0.226259 0.380593 S\n0.772043 0.986446 0.617761 S\n0.013348 0.778522 0.392975 S\n0.732419 0.484401 0.107233 S\n0.486446 0.772043 0.367761 S\n0.278522 0.013348 0.142975 S\n0.484401 0.232419 0.357233 S\n0.726259 0.005034 0.130593 S\n0.505034 0.726259 0.880593 S\n0.272043 0.486446 0.117761 S\n0.513348 0.278522 0.892975 S\n0.232419 0.984401 0.607233 S\n0.986446 0.272043 0.867761 S\n0.778522 0.513348 0.642975 S\n0.984401 0.732419 0.857233 S\n0.226259 0.505034 0.630593 S\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Zr",
"Cr",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-S-Zr",
"density": 4.32354781656251,
"density_atomic": 0.04804531740368825,
"volume": 582.7831204597381,
"volume_molar": 12.53429279985921,
"formula_full": "Zr4 Cr4 Ag4 S16",
"formula_reduced": "ZrCrAgS4",
"formula_anonymous": "ABCD4",
"energy": -183.98824288,
"energy_per_atom": -6.571008674285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.94024288,
"band_gap": 0.4681999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9989892,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:05.823000Z",
"spacegroup": 46
},
{
"id": "mp-18686",
"created_at": "2022-09-04T14:48:01.377342Z",
"structure_string": "Zr2 Cr10 P6\n1.0\n3.654003 0.000000 0.000000\n0.000000 6.888227 0.000000\n0.000000 1.659140 9.206472\nZr Cr P\n2 10 6\ndirect\n0.750000 0.808478 0.779111 Zr\n0.250000 0.191522 0.220889 Zr\n0.750000 0.314219 0.723466 Cr\n0.250000 0.458792 0.924782 Cr\n0.250000 0.085064 0.915738 Cr\n0.750000 0.914936 0.084262 Cr\n0.250000 0.372869 0.490840 Cr\n0.750000 0.627131 0.509160 Cr\n0.750000 0.134881 0.493679 Cr\n0.250000 0.865119 0.506321 Cr\n0.750000 0.541208 0.075218 Cr\n0.250000 0.685781 0.276534 Cr\n0.750000 0.908359 0.331790 P\n0.250000 0.091641 0.668210 P\n0.750000 0.437337 0.324494 P\n0.250000 0.562663 0.675506 P\n0.750000 0.246686 0.987172 P\n0.250000 0.753314 0.012828 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Zr",
"Cr",
"P"
],
"chemical_system": "Cr-P-Zr",
"density": 6.365250434692183,
"density_atomic": 0.07767887337496983,
"volume": 231.72323719360318,
"volume_molar": 7.752610843015255,
"formula_full": "Zr2 Cr10 P6",
"formula_reduced": "ZrCr5P3",
"formula_anonymous": "AB3C5",
"energy": -156.67823796,
"energy_per_atom": -8.704346553333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.67823796,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.4341314,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:25.711000Z",
"spacegroup": 11
},
{
"id": "mp-903",
"created_at": "2022-09-04T14:47:09.659575Z",
"structure_string": "Zr2 Cr4\n1.0\n0.000000 3.572591 3.572591\n3.572591 0.000000 3.572591\n3.572591 3.572591 0.000000\nZr Cr\n2 4\ndirect\n0.250000 0.250000 0.250000 Zr\n0.000000 0.000000 0.000000 Zr\n0.625000 0.625000 0.125000 Cr\n0.625000 0.125000 0.625000 Cr\n0.125000 0.625000 0.625000 Cr\n0.625000 0.625000 0.625000 Cr\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Cr"
],
"chemical_system": "Cr-Zr",
"density": 7.10910702958636,
"density_atomic": 0.0657917374042771,
"volume": 91.19686204866724,
"volume_molar": 9.153339002122935,
"formula_full": "Zr2 Cr4",
"formula_reduced": "ZrCr2",
"formula_anonymous": "AB2",
"energy": -55.90132063,
"energy_per_atom": -9.316886771666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.90132063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.36e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:57.522000Z",
"spacegroup": 227
},
{
"id": "mp-570608",
"created_at": "2022-09-04T14:46:11.736272Z",
"structure_string": "Zr8 Cr16\n1.0\n2.538380 -4.396604 0.000000\n2.538380 4.396604 0.000000\n0.000000 0.000000 16.453505\nZr Cr\n8 16\ndirect\n0.333333 0.666667 0.843789 Zr\n0.000000 0.000000 0.094339 Zr\n0.666667 0.333333 0.156211 Zr\n0.000000 0.000000 0.905661 Zr\n0.000000 0.000000 0.594339 Zr\n0.000000 0.000000 0.405661 Zr\n0.666667 0.333333 0.343789 Zr\n0.333333 0.666667 0.656211 Zr\n0.500000 0.000000 0.000000 Cr\n0.834404 0.165596 0.750000 Cr\n0.666667 0.333333 0.875877 Cr\n0.165596 0.331192 0.250000 Cr\n0.331192 0.165596 0.750000 Cr\n0.834404 0.668808 0.750000 Cr\n0.000000 0.500000 0.000000 Cr\n0.668808 0.834404 0.250000 Cr\n0.500000 0.000000 0.500000 Cr\n0.165596 0.834404 0.250000 Cr\n0.333333 0.666667 0.124123 Cr\n0.500000 0.500000 0.000000 Cr\n0.666667 0.333333 0.624123 Cr\n0.000000 0.500000 0.500000 Cr\n0.333333 0.666667 0.375877 Cr\n0.500000 0.500000 0.500000 Cr\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Zr",
"Cr"
],
"chemical_system": "Cr-Zr",
"density": 7.061427881699855,
"density_atomic": 0.06535048733385987,
"volume": 367.25051302815524,
"volume_molar": 9.215142848490686,
"formula_full": "Zr8 Cr16",
"formula_reduced": "ZrCr2",
"formula_anonymous": "AB2",
"energy": -223.50086117,
"energy_per_atom": -9.312535882083333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -223.50086117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1295792,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.456000Z",
"spacegroup": 194
}
]
}