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=volume_molar&page=10172",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10170",
"results": [
{
"id": "mp-1212079",
"created_at": "2022-09-04T14:42:56.431004Z",
"structure_string": "In1 Ag3 C6 N6\n1.0\n-3.900455 -6.755785 0.000000\n-3.900455 6.755785 0.000000\n0.000000 0.000000 -7.641856\nIn Ag C N\n1 3 6 6\ndirect\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.755263 0.755263 0.825582 C\n0.244737 0.244737 0.174418 C\n0.000000 0.244737 0.825582 C\n0.000000 0.755263 0.174418 C\n0.244737 0.000000 0.825582 C\n0.755263 0.000000 0.174418 C\n0.646389 0.646389 0.720600 N\n0.353611 0.353611 0.279400 N\n0.000000 0.353611 0.720600 N\n0.000000 0.646389 0.279400 N\n0.353611 0.000000 0.720600 N\n0.646389 0.000000 0.279400 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Ag",
"C",
"N"
],
"chemical_system": "Ag-C-In-N",
"density": 2.4513241450867422,
"density_atomic": 0.03972830584367211,
"volume": 402.73552219817265,
"volume_molar": 15.158312523309379,
"formula_full": "In1 Ag3 C6 N6",
"formula_reduced": "InAg3(CN)6",
"formula_anonymous": "AB3C6D6",
"energy": -110.40894501,
"energy_per_atom": -6.900559063125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.24294501,
"band_gap": 3.9157,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0007358,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.431000Z",
"spacegroup": 162
},
{
"id": "mp-1076932",
"created_at": "2022-09-04T14:45:07.383577Z",
"structure_string": "Ba1 Ti1 O3\n1.0\n2.656847 -2.666812 0.000000\n2.656847 2.666812 0.000000\n0.000000 0.000000 8.881493\nBa Ti O\n1 1 3\ndirect\n0.987343 0.012657 0.000000 Ba\n0.028319 0.971681 0.500000 Ti\n0.488553 0.511447 0.000000 O\n0.493737 0.018752 0.500000 O\n0.981248 0.506263 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"O"
],
"chemical_system": "Ba-O-Ti",
"density": 3.0767215794609353,
"density_atomic": 0.03972785204060495,
"volume": 125.85628830095348,
"volume_molar": 15.158485673589663,
"formula_full": "Ba1 Ti1 O3",
"formula_reduced": "BaTiO3",
"formula_anonymous": "ABC3",
"energy": -37.22445807,
"energy_per_atom": -7.444891613999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.16345807,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0139247,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.758000Z",
"spacegroup": 38
},
{
"id": "mp-20275",
"created_at": "2022-09-04T14:39:14.263338Z",
"structure_string": "Ce1 Ge1 Au1\n1.0\n0.000000 3.354792 3.354792\n3.354792 0.000000 3.354792\n3.354792 3.354792 0.000000\nCe Ge Au\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Ge\n0.750000 0.750000 0.750000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ce",
"Ge",
"Au"
],
"chemical_system": "Au-Ce-Ge",
"density": 9.009738638331234,
"density_atomic": 0.0397277951580879,
"volume": 75.51388110168634,
"volume_molar": 15.158507377608634,
"formula_full": "Ce1 Ge1 Au1",
"formula_reduced": "CeGeAu",
"formula_anonymous": "ABC",
"energy": -15.65853601,
"energy_per_atom": -5.2195120033333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.65853601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0074776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.790000Z",
"spacegroup": 216
},
{
"id": "mp-1028016",
"created_at": "2022-09-04T14:39:20.616937Z",
"structure_string": "Cs1 Mg14 Zn1\n1.0\n6.611488 0.065434 0.000000\n-3.249076 5.627564 0.000000\n0.000000 0.000000 10.763197\nCs Mg Zn\n1 14 1\ndirect\n0.161154 0.830577 0.125000 Cs\n0.160710 0.330355 0.625000 Mg\n0.166838 0.833418 0.625000 Mg\n0.657446 0.336940 0.125000 Mg\n0.666422 0.328401 0.625000 Mg\n0.657446 0.820505 0.125000 Mg\n0.666422 0.838020 0.625000 Mg\n0.339515 0.178653 0.395242 Mg\n0.339515 0.178653 0.854758 Mg\n0.339515 0.660863 0.395242 Mg\n0.339515 0.660863 0.854758 Mg\n0.838991 0.169496 0.367469 Mg\n0.838991 0.169496 0.882531 Mg\n0.820310 0.660156 0.394532 Mg\n0.820310 0.660156 0.855468 Mg\n0.186899 0.343449 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Zn"
],
"chemical_system": "Cs-Mg-Zn",
"density": 2.2205852355901308,
"density_atomic": 0.03972688573759503,
"volume": 402.74991867430987,
"volume_molar": 15.158854383345291,
"formula_full": "Cs1 Mg14 Zn1",
"formula_reduced": "CsMg14Zn",
"formula_anonymous": "ABC14",
"energy": -21.86898003,
"energy_per_atom": -1.366811251875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.86898003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.88e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.024000Z",
"spacegroup": 38
},
{
"id": "mp-3650",
"created_at": "2022-09-04T14:41:49.028858Z",
"structure_string": "Hf2 Cu4 Te6\n1.0\n2.040040 10.218020 0.000000\n-2.040040 10.218020 0.000000\n0.000000 1.078743 7.245438\nHf Cu Te\n2 4 6\ndirect\n0.354048 0.354048 0.054529 Hf\n0.645952 0.645952 0.945471 Hf\n0.286586 0.286586 0.425826 Cu\n0.713414 0.713414 0.574174 Cu\n0.951223 0.951223 0.149365 Cu\n0.048777 0.048777 0.850635 Cu\n0.249424 0.249424 0.785538 Te\n0.081388 0.081388 0.179906 Te\n0.416380 0.416380 0.364817 Te\n0.750576 0.750576 0.214462 Te\n0.583620 0.583620 0.635183 Te\n0.918612 0.918612 0.820094 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Te"
],
"chemical_system": "Cu-Hf-Te",
"density": 7.568477556240876,
"density_atomic": 0.039726579601152535,
"volume": 302.06476672489214,
"volume_molar": 15.158971198782206,
"formula_full": "Hf2 Cu4 Te6",
"formula_reduced": "HfCu2Te3",
"formula_anonymous": "AB2C3",
"energy": -63.10452461,
"energy_per_atom": -5.258710384166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.57252461,
"band_gap": 0.0517000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002139,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:28.183000Z",
"spacegroup": 12
},
{
"id": "mp-1096924",
"created_at": "2022-09-04T14:46:37.174225Z",
"structure_string": "Cr18 N36\n1.0\n0.000000 9.505368 9.706041\n7.366768 0.000000 9.706041\n7.366768 9.505368 0.000000\nCr N\n18 36\ndirect\n0.297128 0.323007 0.452540 Cr\n0.927325 0.452540 0.323007 Cr\n0.323007 0.297128 0.927325 Cr\n0.452540 0.927325 0.297128 Cr\n0.702872 0.676993 0.547460 Cr\n0.072675 0.547460 0.676993 Cr\n0.676993 0.702872 0.072675 Cr\n0.547460 0.072675 0.702872 Cr\n0.608490 0.213968 0.391510 Cr\n0.786032 0.391510 0.213968 Cr\n0.213968 0.608490 0.786032 Cr\n0.391510 0.786032 0.608490 Cr\n0.295240 0.073784 0.704760 Cr\n0.926216 0.704760 0.073784 Cr\n0.073784 0.295240 0.926216 Cr\n0.704760 0.926216 0.295240 Cr\n0.250000 0.250000 0.250000 Cr\n0.750000 0.750000 0.750000 Cr\n0.287085 0.315628 0.318619 N\n0.078668 0.318619 0.315628 N\n0.315628 0.287085 0.078668 N\n0.318619 0.078668 0.287085 N\n0.712915 0.684372 0.681381 N\n0.921332 0.681381 0.684372 N\n0.684372 0.712915 0.921332 N\n0.681381 0.921332 0.712915 N\n0.292730 0.185807 0.565744 N\n0.955720 0.565744 0.185807 N\n0.185807 0.292730 0.955720 N\n0.565744 0.955720 0.292730 N\n0.707270 0.814193 0.434256 N\n0.044280 0.434256 0.814193 N\n0.814193 0.707270 0.044280 N\n0.434256 0.044280 0.707270 N\n0.449444 0.309857 0.402222 N\n0.838476 0.402222 0.309857 N\n0.309857 0.449444 0.838476 N\n0.402222 0.838476 0.449444 N\n0.550556 0.690143 0.597778 N\n0.161524 0.597778 0.690143 N\n0.690143 0.550556 0.161524 N\n0.597778 0.161524 0.550556 N\n0.167131 0.467842 0.532158 N\n0.832869 0.532158 0.467842 N\n0.467842 0.167131 0.832869 N\n0.532158 0.832869 0.167131 N\n0.312711 0.927418 0.687289 N\n0.072582 0.687289 0.927418 N\n0.927418 0.312711 0.072582 N\n0.687289 0.072582 0.312711 N\n0.694698 0.305302 0.305302 N\n0.305302 0.694698 0.694698 N\n0.153627 0.153627 0.846373 N\n0.846373 0.846373 0.153627 N\n",
"nsites": 54,
"nelements": 2,
"elements": [
"Cr",
"N"
],
"chemical_system": "Cr-N",
"density": 1.7593211093102232,
"density_atomic": 0.039726080150357924,
"volume": 1359.30853977078,
"volume_molar": 15.159161782906843,
"formula_full": "Cr18 N36",
"formula_reduced": "CrN2",
"formula_anonymous": "AB2",
"energy": -478.48003164,
"energy_per_atom": -8.860741326666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -465.48403164,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0293978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.844000Z",
"spacegroup": 69
},
{
"id": "mp-1228454",
"created_at": "2022-09-04T14:47:19.936032Z",
"structure_string": "Al2 Zn1 Se4\n1.0\n3.869886 0.000000 0.000000\n0.000000 6.517168 0.000000\n0.000000 0.040359 6.987119\nAl Zn Se\n2 1 4\ndirect\n0.500000 0.521115 0.169760 Al\n0.500000 0.971585 0.848728 Al\n0.000000 0.511239 0.655938 Zn\n0.000000 0.890441 0.649603 Se\n0.500000 0.879472 0.170396 Se\n0.500000 0.362688 0.843292 Se\n0.000000 0.363459 0.328934 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Zn",
"Se"
],
"chemical_system": "Al-Se-Zn",
"density": 4.101047580833755,
"density_atomic": 0.039723070586335264,
"volume": 176.22001261926613,
"volume_molar": 15.160310296031385,
"formula_full": "Al2 Zn1 Se4",
"formula_reduced": "Al2ZnSe4",
"formula_anonymous": "AB2C4",
"energy": -30.10172602,
"energy_per_atom": -4.3002465742857146,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -28.21372602,
"band_gap": 0.8803999999999998,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.890000Z",
"spacegroup": 6
},
{
"id": "mp-1383356",
"created_at": "2022-09-04T14:48:31.571258Z",
"structure_string": "Ba1 Hf1 S3\n1.0\n3.544187 -3.543376 0.000000\n3.544187 3.543376 0.000000\n0.001623 0.000000 5.011664\nBa Hf S\n1 1 3\ndirect\n0.008628 0.008628 0.008628 Ba\n0.510476 0.510476 0.510476 Hf\n0.011417 0.513143 0.513143 S\n0.513143 0.513143 0.011417 S\n0.513143 0.011417 0.513143 S\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"S"
],
"chemical_system": "Ba-Hf-S",
"density": 5.435170255671467,
"density_atomic": 0.039721367758135714,
"volume": 125.8768336086791,
"volume_molar": 15.160960208291286,
"formula_full": "Ba1 Hf1 S3",
"formula_reduced": "BaHfS3",
"formula_anonymous": "ABC3",
"energy": -34.84593258,
"energy_per_atom": -6.969186516000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.33693258,
"band_gap": 0.8588999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:54.334000Z",
"spacegroup": 221
},
{
"id": "mp-9843",
"created_at": "2022-09-04T14:42:04.739991Z",
"structure_string": "Sr6 Al4 P8\n1.0\n5.108804 6.614739 0.000000\n-5.108804 6.614739 0.000000\n0.000000 0.133410 6.704981\nSr Al P\n6 4 8\ndirect\n0.992560 0.253349 0.455800 Sr\n0.746651 0.007440 0.044200 Sr\n0.007440 0.746651 0.544200 Sr\n0.253349 0.992560 0.955800 Sr\n0.598034 0.401966 0.750000 Sr\n0.401966 0.598034 0.250000 Sr\n0.581996 0.828404 0.580316 Al\n0.171596 0.418004 0.919684 Al\n0.418004 0.171596 0.419684 Al\n0.828404 0.581996 0.080316 Al\n0.704456 0.059498 0.523707 P\n0.940502 0.295544 0.976293 P\n0.418647 0.259936 0.078346 P\n0.740064 0.581353 0.421654 P\n0.581353 0.740064 0.921654 P\n0.259936 0.418647 0.578346 P\n0.059498 0.704456 0.023707 P\n0.295544 0.940502 0.476293 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sr",
"Al",
"P"
],
"chemical_system": "Al-P-Sr",
"density": 3.229836244992792,
"density_atomic": 0.039720344261521455,
"volume": 453.16827773411967,
"volume_molar": 15.161350869342458,
"formula_full": "Sr6 Al4 P8",
"formula_reduced": "Sr3(AlP2)2",
"formula_anonymous": "A2B3C4",
"energy": -86.39083033,
"energy_per_atom": -4.799490573888889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.39083033,
"band_gap": 1.3365000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0011858,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:39.183000Z",
"spacegroup": 15
},
{
"id": "mp-1184506",
"created_at": "2022-09-04T14:41:53.267826Z",
"structure_string": "In6 Au2\n1.0\n3.446551 -5.969602 0.000000\n3.446551 5.969602 0.000000\n0.000000 0.000000 4.894661\nIn Au\n6 2\ndirect\n0.175061 0.350123 0.250000 In\n0.649877 0.824939 0.250000 In\n0.175061 0.824939 0.250000 In\n0.824939 0.649877 0.750000 In\n0.350123 0.175061 0.750000 In\n0.824939 0.175061 0.750000 In\n0.333333 0.666667 0.750000 Au\n0.666667 0.333333 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
"In",
"Au"
],
"chemical_system": "Au-In",
"density": 8.92752640909037,
"density_atomic": 0.039719821352216744,
"volume": 201.41077496446303,
"volume_molar": 15.161550467708505,
"formula_full": "In6 Au2",
"formula_reduced": "In3Au",
"formula_anonymous": "AB3",
"energy": -23.13701791,
"energy_per_atom": -2.89212723875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.13701791,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015984,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.546000Z",
"spacegroup": 194
},
{
"id": "mp-36515",
"created_at": "2022-09-04T14:44:23.716073Z",
"structure_string": "Pr4 U2 Se8\n1.0\n-4.457227 4.457227 4.435393\n4.457227 -4.457227 4.435393\n4.457227 4.457227 -4.435393\nPr U Se\n4 2 8\ndirect\n0.498850 0.875000 0.123850 Pr\n0.751150 0.375000 0.876150 Pr\n0.125000 0.248850 0.623850 Pr\n0.625000 0.501150 0.376150 Pr\n0.250000 0.750000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.029918 0.631025 0.751015 Se\n0.528904 0.630011 0.748985 Se\n0.881025 0.779918 0.251015 Se\n0.368975 0.119989 0.398893 Se\n0.721096 0.970082 0.601107 Se\n0.880011 0.278904 0.248985 Se\n0.369989 0.118975 0.898893 Se\n0.220082 0.471096 0.101107 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pr",
"U",
"Se"
],
"chemical_system": "Pr-Se-U",
"density": 7.874077521975887,
"density_atomic": 0.039719743234366486,
"volume": 352.46954939746087,
"volume_molar": 15.161580286323447,
"formula_full": "Pr4 U2 Se8",
"formula_reduced": "Pr2USe4",
"formula_anonymous": "AB2C4",
"energy": -95.60011424,
"energy_per_atom": -6.828579588571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.82411424,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.821499,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.231000Z",
"spacegroup": 122
},
{
"id": "mp-867346",
"created_at": "2022-09-04T14:41:21.125755Z",
"structure_string": "Th1 Cd1 Hg2\n1.0\n0.000000 3.692695 3.692695\n3.692695 0.000000 3.692695\n3.692695 3.692695 0.000000\nTh Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Th",
"density": 12.29452098307406,
"density_atomic": 0.03971912573387737,
"volume": 100.70715117952122,
"volume_molar": 15.161815998541922,
"formula_full": "Th1 Cd1 Hg2",
"formula_reduced": "ThCdHg2",
"formula_anonymous": "ABC2",
"energy": -9.90619436,
"energy_per_atom": -2.47654859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.90619436,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007508,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.052000Z",
"spacegroup": 225
}
]
}