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=density&page=10264",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=10262",
"results": [
{
"id": "mp-1105945",
"created_at": "2022-09-04T14:39:09.494074Z",
"structure_string": "Sm12 Ni4\n1.0\n6.402330 0.000000 0.000000\n0.000000 6.919468 0.000000\n0.000000 0.000000 9.771273\nSm Ni\n12 4\ndirect\n0.321828 0.178580 0.564644 Sm\n0.178172 0.678580 0.935356 Sm\n0.678172 0.821420 0.064644 Sm\n0.821828 0.321420 0.435356 Sm\n0.678172 0.821420 0.435356 Sm\n0.821828 0.321420 0.064644 Sm\n0.321828 0.178580 0.935356 Sm\n0.178172 0.678580 0.564644 Sm\n0.862458 0.034379 0.750000 Sm\n0.637542 0.534379 0.750000 Sm\n0.137542 0.965621 0.250000 Sm\n0.362458 0.465621 0.250000 Sm\n0.063577 0.391269 0.750000 Ni\n0.436423 0.891269 0.750000 Ni\n0.936423 0.608731 0.250000 Ni\n0.563577 0.108731 0.250000 Ni\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"Ni"
],
"chemical_system": "Ni-Sm",
"density": 7.8221177809988935,
"density_atomic": 0.036962222300930554,
"volume": 432.87440537895327,
"volume_molar": 16.292691253708487,
"formula_full": "Sm12 Ni4",
"formula_reduced": "Sm3Ni",
"formula_anonymous": "AB3",
"energy": -82.84211115,
"energy_per_atom": -5.177631946875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.84211115,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0074174,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.677000Z",
"spacegroup": 62
},
{
"id": "mp-1229083",
"created_at": "2022-09-04T14:39:39.304900Z",
"structure_string": "Ag1 Bi1 Te1 Se1\n1.0\n4.202193 0.000000 0.000000\n0.000000 4.202193 0.000000\n0.000000 0.000000 6.292250\nAg Bi Te Se\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Te\n0.000000 0.000000 0.500000 Se\n",
"nsites": 4,
"nelements": 4,
"elements": [
"Ag",
"Bi",
"Te",
"Se"
],
"chemical_system": "Ag-Bi-Se-Te",
"density": 7.822255408644641,
"density_atomic": 0.035999961137672114,
"volume": 111.11123105669704,
"volume_molar": 16.72818683600783,
"formula_full": "Ag1 Bi1 Te1 Se1",
"formula_reduced": "AgBiTeSe",
"formula_anonymous": "ABCD",
"energy": -14.85590346,
"energy_per_atom": -3.713975865,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.96190346,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001311,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.875000Z",
"spacegroup": 123
},
{
"id": "mp-1198549",
"created_at": "2022-09-04T14:40:37.059374Z",
"structure_string": "Mn32 Bi32 O90\n1.0\n-8.065149 8.065149 8.065149\n8.065149 -8.065149 8.065149\n8.065149 8.065149 -8.065149\nMn Bi O\n32 32 90\ndirect\n0.999195 0.500000 0.000000 Mn\n0.500000 0.000000 0.999195 Mn\n0.000000 0.999195 0.500000 Mn\n0.500805 0.500805 0.500805 Mn\n0.500000 0.000000 0.499195 Mn\n0.499195 0.500000 0.000000 Mn\n0.000000 0.499195 0.500000 Mn\n0.000805 0.000805 0.000805 Mn\n0.749356 0.250000 0.999356 Mn\n0.750644 0.750000 0.500644 Mn\n0.499356 0.750000 0.249356 Mn\n0.000644 0.250000 0.250644 Mn\n0.250000 0.999356 0.749356 Mn\n0.750000 0.500644 0.750644 Mn\n0.750000 0.249356 0.499356 Mn\n0.250000 0.250644 0.000644 Mn\n0.999356 0.749356 0.250000 Mn\n0.500644 0.750644 0.750000 Mn\n0.249356 0.499356 0.750000 Mn\n0.250644 0.000644 0.250000 Mn\n0.499855 0.250000 0.749855 Mn\n0.000145 0.750000 0.750145 Mn\n0.249855 0.750000 0.999855 Mn\n0.250145 0.250000 0.500145 Mn\n0.250000 0.749855 0.499855 Mn\n0.750000 0.750145 0.000145 Mn\n0.750000 0.999855 0.249855 Mn\n0.250000 0.500145 0.250145 Mn\n0.749855 0.499855 0.250000 Mn\n0.750145 0.000145 0.750000 Mn\n0.999855 0.249855 0.750000 Mn\n0.500145 0.250145 0.250000 Mn\n0.223602 0.500000 0.000000 Bi\n0.500000 0.000000 0.223602 Bi\n0.000000 0.223602 0.500000 Bi\n0.276398 0.276398 0.276398 Bi\n0.500000 0.000000 0.723602 Bi\n0.723602 0.500000 0.000000 Bi\n0.000000 0.723602 0.500000 Bi\n0.776398 0.776398 0.776398 Bi\n0.000335 0.987619 0.253020 Bi\n0.265402 0.512381 0.512716 Bi\n0.234598 0.747314 0.246980 Bi\n0.499665 0.752686 0.987284 Bi\n0.753020 0.487619 0.500335 Bi\n0.012716 0.012381 0.765402 Bi\n0.746980 0.247314 0.734598 Bi\n0.487284 0.252686 0.999665 Bi\n0.987619 0.253020 0.000335 Bi\n0.512381 0.512716 0.265402 Bi\n0.747314 0.246980 0.234598 Bi\n0.752686 0.987284 0.499665 Bi\n0.487619 0.500335 0.753020 Bi\n0.012381 0.765402 0.012716 Bi\n0.247314 0.734598 0.746980 Bi\n0.252686 0.999665 0.487284 Bi\n0.253020 0.000335 0.987619 Bi\n0.512716 0.265402 0.512381 Bi\n0.246980 0.234598 0.747314 Bi\n0.987284 0.499665 0.752686 Bi\n0.500335 0.753020 0.487619 Bi\n0.765402 0.012716 0.012381 Bi\n0.734598 0.746980 0.247314 Bi\n0.999665 0.487284 0.252686 Bi\n0.126973 0.250000 0.376973 O\n0.373027 0.750000 0.123027 O\n0.876973 0.750000 0.626973 O\n0.623027 0.250000 0.873027 O\n0.250000 0.376973 0.126973 O\n0.750000 0.123027 0.373027 O\n0.750000 0.626973 0.876973 O\n0.250000 0.873027 0.623027 O\n0.376973 0.126973 0.250000 O\n0.123027 0.373027 0.750000 O\n0.626973 0.876973 0.750000 O\n0.873027 0.623027 0.250000 O\n0.375000 0.250000 0.625000 O\n0.125000 0.750000 0.875000 O\n0.250000 0.625000 0.375000 O\n0.750000 0.875000 0.125000 O\n0.625000 0.375000 0.250000 O\n0.875000 0.125000 0.750000 O\n0.335269 0.706872 0.636518 O\n0.929646 0.793128 0.128397 O\n0.570354 0.698751 0.863482 O\n0.164731 0.801249 0.371603 O\n0.136518 0.206872 0.835269 O\n0.628397 0.293128 0.429646 O\n0.363482 0.198751 0.070354 O\n0.871603 0.301249 0.664731 O\n0.706872 0.636518 0.335269 O\n0.793128 0.128397 0.929646 O\n0.698751 0.863482 0.570354 O\n0.801249 0.371603 0.164731 O\n0.206872 0.835269 0.136518 O\n0.293128 0.429646 0.628397 O\n0.198751 0.070354 0.363482 O\n0.301249 0.664731 0.871603 O\n0.636518 0.335269 0.706872 O\n0.128397 0.929646 0.793128 O\n0.863482 0.570354 0.698751 O\n0.371603 0.164731 0.801249 O\n0.835269 0.136518 0.206872 O\n0.429646 0.628397 0.293128 O\n0.070354 0.363482 0.198751 O\n0.664731 0.871603 0.301249 O\n0.632180 0.458218 0.093636 O\n0.635418 0.041782 0.673962 O\n0.864582 0.538544 0.406364 O\n0.867820 0.961456 0.826038 O\n0.593636 0.958218 0.132180 O\n0.173962 0.541782 0.135418 O\n0.906364 0.038544 0.364582 O\n0.326038 0.461456 0.367820 O\n0.458218 0.093636 0.632180 O\n0.041782 0.673962 0.635418 O\n0.538544 0.406364 0.864582 O\n0.961456 0.826038 0.867820 O\n0.958218 0.132180 0.593636 O\n0.541782 0.135418 0.173962 O\n0.038544 0.364582 0.906364 O\n0.461456 0.367820 0.326038 O\n0.093636 0.632180 0.458218 O\n0.673962 0.635418 0.041782 O\n0.406364 0.864582 0.538544 O\n0.826038 0.867820 0.961456 O\n0.132180 0.593636 0.958218 O\n0.135418 0.173962 0.541782 O\n0.364582 0.906364 0.038544 O\n0.367820 0.326038 0.461456 O\n0.601396 0.617469 0.464010 O\n0.846541 0.882531 0.483926 O\n0.653459 0.137386 0.035990 O\n0.898604 0.362614 0.016074 O\n0.964010 0.117469 0.101396 O\n0.983926 0.382531 0.346541 O\n0.535990 0.637386 0.153459 O\n0.516074 0.862614 0.398604 O\n0.617469 0.464010 0.601396 O\n0.882531 0.483926 0.846541 O\n0.137386 0.035990 0.653459 O\n0.362614 0.016074 0.898604 O\n0.117469 0.101396 0.964010 O\n0.382531 0.346541 0.983926 O\n0.637386 0.153459 0.535990 O\n0.862614 0.398604 0.516074 O\n0.464010 0.601396 0.617469 O\n0.483926 0.846541 0.882531 O\n0.035990 0.653459 0.137386 O\n0.016074 0.898604 0.362614 O\n0.101396 0.964010 0.117469 O\n0.346541 0.983926 0.382531 O\n0.153459 0.535990 0.637386 O\n0.398604 0.516074 0.862614 O\n",
"nsites": 154,
"nelements": 3,
"elements": [
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O",
"density": 7.822460278961189,
"density_atomic": 0.07338774511403638,
"volume": 2098.442999722926,
"volume_molar": 8.205921507252013,
"formula_full": "Mn32 Bi32 O90",
"formula_reduced": "Mn16Bi16O45",
"formula_anonymous": "A16B16C45",
"energy": -1138.95699532,
"energy_per_atom": -7.3958246449350655,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1023.75099532,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 140.3159527,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.681000Z",
"spacegroup": 220
},
{
"id": "mp-1215521",
"created_at": "2022-09-04T14:45:25.134297Z",
"structure_string": "Yb2 Al2 Cu2\n1.0\n-2.718221 2.763770 3.723753\n2.718221 -2.763770 3.723753\n2.718221 2.763770 -3.723753\nYb Al Cu\n2 2 2\ndirect\n0.380836 0.130836 0.250000 Yb\n0.619164 0.869164 0.750000 Yb\n0.000000 0.500000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Yb",
"density": 7.822462588636875,
"density_atomic": 0.053619619925628526,
"volume": 111.899338494419,
"volume_molar": 11.231226122737962,
"formula_full": "Yb2 Al2 Cu2",
"formula_reduced": "YbAlCu",
"formula_anonymous": "ABC",
"energy": -20.70449139,
"energy_per_atom": -3.450748565,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.70449139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.67e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.865000Z",
"spacegroup": 74
},
{
"id": "mp-1208865",
"created_at": "2022-09-04T14:43:55.535014Z",
"structure_string": "Sm6 Zr2 Sb10\n1.0\n4.718274 -8.172290 0.000000\n4.718274 8.172290 0.000000\n0.000000 0.000000 6.337068\nSm Zr Sb\n6 2 10\ndirect\n0.617666 0.000000 0.250000 Sm\n0.382334 0.000000 0.750000 Sm\n0.000000 0.617666 0.250000 Sm\n0.000000 0.382334 0.750000 Sm\n0.382334 0.382334 0.250000 Sm\n0.617666 0.617666 0.750000 Sm\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.266469 0.000000 0.250000 Sb\n0.733531 0.000000 0.750000 Sb\n0.000000 0.266469 0.250000 Sb\n0.000000 0.733531 0.750000 Sb\n0.733531 0.733531 0.250000 Sb\n0.266469 0.266469 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Zr",
"Sb"
],
"chemical_system": "Sb-Sm-Zr",
"density": 7.822550328844187,
"density_atomic": 0.036832162236329034,
"volume": 488.70332087769424,
"volume_molar": 16.35022326780512,
"formula_full": "Sm6 Zr2 Sb10",
"formula_reduced": "Sm3ZrSb5",
"formula_anonymous": "AB3C5",
"energy": -105.5403933,
"energy_per_atom": -5.863355183333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.62039330000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0061445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.355000Z",
"spacegroup": 193
},
{
"id": "mp-1226752",
"created_at": "2022-09-04T14:41:11.608740Z",
"structure_string": "Ce2 Mn20 Cu2\n1.0\n0.000000 0.000000 4.743483\n8.209648 0.017855 0.000000\n0.017855 8.209648 0.000000\nCe Mn Cu\n2 20 2\ndirect\n0.994099 0.500000 0.500000 Ce\n0.994099 0.000000 0.000000 Ce\n0.000261 0.112888 0.612888 Mn\n0.000261 0.887112 0.387112 Mn\n0.998524 0.382175 0.117825 Mn\n0.998524 0.617825 0.882175 Mn\n0.494081 0.572204 0.718037 Mn\n0.494081 0.427796 0.281963 Mn\n0.492447 0.936853 0.220833 Mn\n0.492447 0.063147 0.779167 Mn\n0.492447 0.720833 0.436853 Mn\n0.492447 0.279167 0.563147 Mn\n0.494081 0.218037 0.072204 Mn\n0.494081 0.781963 0.927796 Mn\n0.769728 0.176689 0.323311 Mn\n0.769728 0.823311 0.676689 Mn\n0.261661 0.678143 0.178143 Mn\n0.261661 0.321857 0.821857 Mn\n0.230160 0.822886 0.677114 Mn\n0.230160 0.177114 0.322886 Mn\n0.498059 0.000000 0.500000 Mn\n0.498269 0.500000 0.000000 Mn\n0.774348 0.321099 0.821099 Cu\n0.774348 0.678901 0.178901 Cu\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"Cu"
],
"chemical_system": "Ce-Cu-Mn",
"density": 7.822655132646718,
"density_atomic": 0.0750700792636828,
"volume": 319.7012742680113,
"volume_molar": 8.022025311638874,
"formula_full": "Ce2 Mn20 Cu2",
"formula_reduced": "CeMn10Cu",
"formula_anonymous": "ABC10",
"energy": -200.91635176,
"energy_per_atom": -8.371514656666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -200.91635176,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.4856689,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.667000Z",
"spacegroup": 35
},
{
"id": "mp-1228077",
"created_at": "2022-09-04T14:47:16.211060Z",
"structure_string": "Ba4 Na1 Ir3 O12\n1.0\n-4.143946 4.143946 4.143946\n4.143946 -4.143946 4.143946\n4.143946 4.143946 -4.143946\nBa Na Ir O\n4 1 3 12\ndirect\n0.000000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.250000 0.750000 0.500000 O\n0.729931 0.729931 0.000000 O\n0.270069 0.270069 0.000000 O\n0.750000 0.250000 0.500000 O\n0.270069 0.000000 0.270069 O\n0.729931 0.000000 0.729931 O\n0.250000 0.500000 0.750000 O\n0.750000 0.500000 0.250000 O\n0.500000 0.750000 0.250000 O\n0.000000 0.729931 0.729931 O\n0.500000 0.250000 0.750000 O\n0.000000 0.270069 0.270069 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Na-O",
"density": 7.822700405383992,
"density_atomic": 0.0702631703872171,
"volume": 284.6441441480781,
"volume_molar": 8.570835512847284,
"formula_full": "Ba4 Na1 Ir3 O12",
"formula_reduced": "Ba4Na(IrO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -135.67269742000002,
"energy_per_atom": -6.783634871000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.42869742,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9474985,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.997000Z",
"spacegroup": 229
},
{
"id": "mp-1077018",
"created_at": "2022-09-04T14:45:40.814382Z",
"structure_string": "Sm4 Sb2\n1.0\n-2.263539 2.263539 8.751689\n2.263539 -2.263539 8.751689\n2.263539 2.263539 -8.751689\nSm Sb\n4 2\ndirect\n0.000000 0.500000 0.500000 Sm\n0.500000 0.000000 0.500000 Sm\n0.821395 0.821395 0.000000 Sm\n0.178605 0.178605 0.000000 Sm\n0.638356 0.638356 0.000000 Sb\n0.361644 0.361644 0.000000 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sm",
"Sb"
],
"chemical_system": "Sb-Sm",
"density": 7.822713354824576,
"density_atomic": 0.03345210255929189,
"volume": 179.36092325931838,
"volume_molar": 18.002278778519553,
"formula_full": "Sm4 Sb2",
"formula_reduced": "Sm2Sb",
"formula_anonymous": "AB2",
"energy": -32.52998159,
"energy_per_atom": -5.421663598333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.14598159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007225,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.947000Z",
"spacegroup": 139
},
{
"id": "mp-1183711",
"created_at": "2022-09-04T14:39:29.941996Z",
"structure_string": "Ce3 Ti1\n1.0\n4.632102 0.000000 0.000000\n0.000000 4.632102 0.000000\n0.000000 0.000000 4.632102\nCe Ti\n3 1\ndirect\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Ti"
],
"chemical_system": "Ce-Ti",
"density": 7.822761290573562,
"density_atomic": 0.04024627117029004,
"volume": 99.38808947231902,
"volume_molar": 14.963226616744482,
"formula_full": "Ce3 Ti1",
"formula_reduced": "Ce3Ti",
"formula_anonymous": "AB3",
"energy": -25.02051574,
"energy_per_atom": -6.255128935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.02051574,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0207269,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.771000Z",
"spacegroup": 221
},
{
"id": "mp-1102541",
"created_at": "2022-09-04T14:47:12.825046Z",
"structure_string": "Y2 Si4 Rh6\n1.0\n-2.777897 3.597804 4.819023\n2.777897 -3.597804 4.819023\n2.777897 3.597804 -4.819023\nY Si Rh\n2 4 6\ndirect\n0.250000 0.539511 0.289511 Y\n0.750000 0.460489 0.710489 Y\n0.078953 0.883310 0.804357 Si\n0.921047 0.116690 0.195643 Si\n0.578953 0.774596 0.195643 Si\n0.421047 0.225404 0.804357 Si\n0.714754 0.000000 0.714754 Rh\n0.214754 0.500000 0.714754 Rh\n0.285246 0.000000 0.285246 Rh\n0.785246 0.500000 0.285246 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.000000 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Y",
"Si",
"Rh"
],
"chemical_system": "Rh-Si-Y",
"density": 7.822842580466976,
"density_atomic": 0.06228860671383667,
"volume": 192.65160409077419,
"volume_molar": 9.668125645620284,
"formula_full": "Y2 Si4 Rh6",
"formula_reduced": "YSi2Rh3",
"formula_anonymous": "AB2C3",
"energy": -91.55628167,
"energy_per_atom": -7.629690139166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.55628167,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006212,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.299000Z",
"spacegroup": 74
},
{
"id": "mp-11140",
"created_at": "2022-09-04T14:44:59.609778Z",
"structure_string": "Ho8 Sb20\n1.0\n4.226329 0.000000 0.000000\n0.000000 13.169066 0.000000\n0.000000 3.058427 14.319183\nHo Sb\n8 20\ndirect\n0.250000 0.393335 0.770230 Ho\n0.750000 0.606665 0.229770 Ho\n0.250000 0.662163 0.855014 Ho\n0.750000 0.337837 0.144986 Ho\n0.250000 0.669139 0.577661 Ho\n0.750000 0.330861 0.422339 Ho\n0.250000 0.952931 0.361541 Ho\n0.750000 0.047069 0.638459 Ho\n0.250000 0.141776 0.779246 Sb\n0.750000 0.858224 0.220754 Sb\n0.250000 0.143340 0.482171 Sb\n0.750000 0.856660 0.517829 Sb\n0.250000 0.152407 0.171683 Sb\n0.750000 0.847593 0.828317 Sb\n0.250000 0.419816 0.975270 Sb\n0.750000 0.580184 0.024730 Sb\n0.750000 0.030318 0.908291 Sb\n0.250000 0.969682 0.091709 Sb\n0.750000 0.138401 0.322293 Sb\n0.250000 0.861599 0.677707 Sb\n0.750000 0.278557 0.937659 Sb\n0.250000 0.721443 0.062341 Sb\n0.750000 0.284423 0.653315 Sb\n0.250000 0.715577 0.346685 Sb\n0.750000 0.575474 0.734451 Sb\n0.250000 0.424526 0.265549 Sb\n0.750000 0.574407 0.449327 Sb\n0.250000 0.425593 0.550673 Sb\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ho",
"Sb"
],
"chemical_system": "Ho-Sb",
"density": 7.823141411718176,
"density_atomic": 0.03513350804623385,
"volume": 796.9599837042595,
"volume_molar": 17.140732864122704,
"formula_full": "Ho8 Sb20",
"formula_reduced": "Ho2Sb5",
"formula_anonymous": "A2B5",
"energy": -140.62671318,
"energy_per_atom": -5.022382613571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -136.78671318,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:51.380000Z",
"spacegroup": 11
},
{
"id": "mp-977455",
"created_at": "2022-09-04T14:42:52.910098Z",
"structure_string": "Pa1 Ag1 O3\n1.0\n4.346640 0.000000 0.000000\n0.000000 4.346640 0.000000\n0.000000 0.000000 4.346640\nPa Ag O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pa",
"Ag",
"O"
],
"chemical_system": "Ag-O-Pa",
"density": 7.823288924550025,
"density_atomic": 0.06088481454034142,
"volume": 82.12228349134693,
"volume_molar": 9.89103901435031,
"formula_full": "Pa1 Ag1 O3",
"formula_reduced": "PaAgO3",
"formula_anonymous": "ABC3",
"energy": -41.38309413,
"energy_per_atom": -8.276618826,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.32209413,
"band_gap": 0.915,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0068228,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.293000Z",
"spacegroup": 221
}
]
}