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=12182",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12180",
"results": [
{
"id": "mp-20793",
"created_at": "2022-09-04T14:45:58.315798Z",
"structure_string": "Ga2 Fe1 S4\n1.0\n1.829473 -3.168741 0.000000\n1.829473 3.168741 0.000000\n0.000000 0.000000 12.410008\nGa Fe S\n2 1 4\ndirect\n0.333333 0.666667 0.216609 Ga\n0.666667 0.333333 0.783391 Ga\n0.000000 0.000000 0.500000 Fe\n0.666667 0.333333 0.604453 S\n0.333333 0.666667 0.395547 S\n0.666667 0.333333 0.133215 S\n0.333333 0.666667 0.866785 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"S"
],
"chemical_system": "Fe-Ga-S",
"density": 3.734023434236822,
"density_atomic": 0.04865004376719156,
"volume": 143.8847626427139,
"volume_molar": 12.37848991219447,
"formula_full": "Ga2 Fe1 S4",
"formula_reduced": "Ga2FeS4",
"formula_anonymous": "AB2C4",
"energy": -36.73122747,
"energy_per_atom": -5.24731821,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.71922747,
"band_gap": 0.4377000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0091297,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:13.670000Z",
"spacegroup": 164
},
{
"id": "mp-1041194",
"created_at": "2022-09-04T14:45:58.415876Z",
"structure_string": "Ca1 Ti1 S2\n1.0\n1.822569 -3.156782 0.000000\n1.822569 3.156782 0.000000\n0.000000 0.000000 6.541502\nCa Ti S\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.780337 S\n0.666667 0.333333 0.219663 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"S"
],
"chemical_system": "Ca-S-Ti",
"density": 3.354832779300201,
"density_atomic": 0.0531402932242371,
"volume": 75.27244878234157,
"volume_molar": 11.332532047928789,
"formula_full": "Ca1 Ti1 S2",
"formula_reduced": "CaTiS2",
"formula_anonymous": "ABC2",
"energy": -25.33626174,
"energy_per_atom": -6.334065435,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.33026174,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1934549,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.035000Z",
"spacegroup": 164
},
{
"id": "mp-1215227",
"created_at": "2022-09-04T14:45:58.433180Z",
"structure_string": "Zr1 Ta1 Te4\n1.0\n1.916263 -3.319065 0.000000\n1.916263 3.319065 0.000000\n0.000000 0.000000 14.508207\nZr Ta Te\n1 1 4\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Ta\n0.333333 0.666667 0.878030 Te\n0.333333 0.666667 0.371320 Te\n0.666667 0.333333 0.628680 Te\n0.666667 0.333333 0.121970 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ta",
"Te"
],
"chemical_system": "Ta-Te-Zr",
"density": 7.041395284103146,
"density_atomic": 0.03251147247636091,
"volume": 184.55023851542254,
"volume_molar": 18.5231252271908,
"formula_full": "Zr1 Ta1 Te4",
"formula_reduced": "ZrTaTe4",
"formula_anonymous": "ABC4",
"energy": -38.1521282,
"energy_per_atom": -6.358688033333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.4641282,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0739682,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.411000Z",
"spacegroup": 164
},
{
"id": "mp-1226293",
"created_at": "2022-09-04T14:45:58.763898Z",
"structure_string": "Cr4 In1 Ag1 S8\n1.0\n0.000000 5.144223 5.144223\n5.144223 0.000000 5.144223\n5.144224 5.144223 0.000000\nCr In Ag S\n4 1 1 8\ndirect\n0.621092 0.621092 0.136724 Cr\n0.621092 0.136724 0.621092 Cr\n0.136724 0.621092 0.621092 Cr\n0.621092 0.621092 0.621092 Cr\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ag\n0.859806 0.859806 0.420583 S\n0.859806 0.420583 0.859806 S\n0.420583 0.859806 0.859806 S\n0.859806 0.859806 0.859806 S\n0.390361 0.390361 0.828917 S\n0.390361 0.828917 0.390361 S\n0.828917 0.390361 0.390361 S\n0.390361 0.390361 0.390361 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Cr",
"In",
"Ag",
"S"
],
"chemical_system": "Ag-Cr-In-S",
"density": 4.191185754808504,
"density_atomic": 0.05142077730062146,
"volume": 272.2634844306564,
"volume_molar": 11.711493050353436,
"formula_full": "Cr4 In1 Ag1 S8",
"formula_reduced": "Cr4InAgS8",
"formula_anonymous": "ABC4D8",
"energy": -90.41998492,
"energy_per_atom": -6.4585703514285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.39598492,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000507,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:10.888000Z",
"spacegroup": 216
},
{
"id": "mp-1194373",
"created_at": "2022-09-04T14:45:58.197836Z",
"structure_string": "Na6 In2 P4 O16\n1.0\n5.535020 0.000000 0.000000\n0.000000 7.127301 0.000000\n0.000000 0.002125 8.779303\nNa In P O\n6 2 4 16\ndirect\n0.750000 0.505829 0.743902 Na\n0.250000 0.494171 0.256098 Na\n0.750000 0.723569 0.433555 Na\n0.250000 0.276431 0.566445 Na\n0.750000 0.289469 0.060626 Na\n0.250000 0.710531 0.939374 Na\n0.750000 0.002700 0.752695 In\n0.250000 0.997300 0.247305 In\n0.750000 0.223468 0.401133 P\n0.250000 0.776532 0.598867 P\n0.750000 0.777134 0.095069 P\n0.250000 0.222866 0.904931 P\n0.750000 0.050392 0.508532 O\n0.250000 0.949608 0.491468 O\n0.750000 0.406636 0.489739 O\n0.250000 0.593364 0.510261 O\n0.020926 0.783654 0.706031 O\n0.520926 0.216346 0.293969 O\n0.979074 0.216346 0.293969 O\n0.479074 0.783654 0.706031 O\n0.750000 0.957937 0.996600 O\n0.250000 0.042063 0.003400 O\n0.020784 0.223741 0.797303 O\n0.520784 0.776259 0.202697 O\n0.979216 0.776259 0.202697 O\n0.479216 0.223741 0.797303 O\n0.750000 0.601248 0.997391 O\n0.250000 0.398752 0.002609 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Na",
"In",
"P",
"O"
],
"chemical_system": "In-Na-O-P",
"density": 3.5837091714092453,
"density_atomic": 0.08084509923932962,
"volume": 346.3413399631097,
"volume_molar": 7.448986786660215,
"formula_full": "Na6 In2 P4 O16",
"formula_reduced": "Na3In(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -185.69430955,
"energy_per_atom": -6.631939626785715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.70230955,
"band_gap": 3.2757,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.586000Z",
"spacegroup": 11
},
{
"id": "mp-1022534",
"created_at": "2022-09-04T14:45:58.199413Z",
"structure_string": "Li2 Mg12 Zr2\n1.0\n5.075796 0.000000 0.000000\n0.000000 6.356944 0.000000\n0.000000 0.000000 11.100801\nLi Mg Zr\n2 12 2\ndirect\n0.500000 0.500000 0.167273 Li\n0.500000 0.000000 0.667273 Li\n0.000000 0.745431 0.082461 Mg\n0.000000 0.254569 0.082461 Mg\n0.000000 0.000000 0.335549 Mg\n0.500000 0.254008 0.415570 Mg\n0.500000 0.745992 0.415570 Mg\n0.500000 0.000000 0.166835 Mg\n0.000000 0.245431 0.582461 Mg\n0.000000 0.754569 0.582461 Mg\n0.000000 0.500000 0.835549 Mg\n0.500000 0.754008 0.915570 Mg\n0.500000 0.245992 0.915570 Mg\n0.500000 0.500000 0.666835 Mg\n0.000000 0.500000 0.334281 Zr\n0.000000 0.000000 0.834281 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Zr"
],
"chemical_system": "Li-Mg-Zr",
"density": 2.2623154311744678,
"density_atomic": 0.04466970872275545,
"volume": 358.1845608016994,
"volume_molar": 13.481486520041326,
"formula_full": "Li2 Mg12 Zr2",
"formula_reduced": "LiMg6Zr",
"formula_anonymous": "ABC6",
"energy": -38.87392274,
"energy_per_atom": -2.42962017125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.87392274,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5652588,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.291000Z",
"spacegroup": 38
},
{
"id": "mp-1078656",
"created_at": "2022-09-04T14:45:58.220979Z",
"structure_string": "K6 Mn2\n1.0\n-4.088882 4.088882 6.311013\n4.088882 -4.088882 6.311013\n4.088882 4.088882 -6.311013\nK Mn\n6 2\ndirect\n0.693336 0.193336 0.886671 K\n0.306664 0.806664 0.113329 K\n0.193336 0.306664 0.500000 K\n0.806664 0.693336 0.500000 K\n0.750000 0.750000 0.000000 K\n0.250000 0.250000 0.000000 K\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Mn"
],
"chemical_system": "K-Mn",
"density": 1.3552739775311289,
"density_atomic": 0.018954911707230057,
"volume": 422.05419490023394,
"volume_molar": 31.770872125471033,
"formula_full": "K6 Mn2",
"formula_reduced": "K3Mn",
"formula_anonymous": "AB3",
"energy": -19.77226496,
"energy_per_atom": -2.47153312,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.77226496,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.3494956,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.538000Z",
"spacegroup": 140
},
{
"id": "mp-1189333",
"created_at": "2022-09-04T14:45:58.272174Z",
"structure_string": "Er4 B8 Os4\n1.0\n5.303624 0.000000 0.000000\n0.000000 5.875977 0.000000\n0.000000 0.000000 6.348147\nEr B Os\n4 8 4\ndirect\n0.250000 0.010320 0.334299 Er\n0.250000 0.510320 0.165701 Er\n0.750000 0.989680 0.665701 Er\n0.750000 0.489680 0.834299 Er\n0.082471 0.361679 0.537616 B\n0.417529 0.861679 0.962384 B\n0.582471 0.638321 0.462384 B\n0.917529 0.138321 0.037616 B\n0.917529 0.638321 0.462384 B\n0.582471 0.138321 0.037616 B\n0.417529 0.361679 0.537616 B\n0.082471 0.861679 0.962384 B\n0.250000 0.176469 0.819172 Os\n0.250000 0.676469 0.680828 Os\n0.750000 0.823531 0.180828 Os\n0.750000 0.323531 0.319172 Os\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Er",
"B",
"Os"
],
"chemical_system": "B-Er-Os",
"density": 12.728454817693,
"density_atomic": 0.08087609865811002,
"volume": 197.83347942681166,
"volume_molar": 7.44613162593015,
"formula_full": "Er4 B8 Os4",
"formula_reduced": "ErB2Os",
"formula_anonymous": "ABC2",
"energy": -126.32638483,
"energy_per_atom": -7.895399051875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.32638483,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.16e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:11.081000Z",
"spacegroup": 62
},
{
"id": "mp-769391",
"created_at": "2022-09-04T14:45:58.273422Z",
"structure_string": "Ba8 Zr2 O12\n1.0\n5.315246 -5.276324 0.000000\n5.315246 5.276324 0.000000\n0.077557 0.000000 7.489020\nBa Zr O\n8 2 12\ndirect\n0.750000 0.114061 0.385939 Ba\n0.614061 0.250000 0.885939 Ba\n0.885939 0.614061 0.250000 Ba\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.114061 0.385939 0.750000 Ba\n0.385939 0.750000 0.114061 Ba\n0.250000 0.885939 0.614061 Ba\n0.500000 0.500000 0.500000 Zr\n0.000000 0.000000 0.000000 Zr\n0.925664 0.057640 0.726516 O\n0.942360 0.273484 0.074336 O\n0.773484 0.442360 0.574336 O\n0.273484 0.074336 0.942360 O\n0.425664 0.226516 0.557640 O\n0.557640 0.425664 0.226516 O\n0.442360 0.574336 0.773484 O\n0.574336 0.773484 0.442360 O\n0.726516 0.925664 0.057640 O\n0.226516 0.557640 0.425664 O\n0.057640 0.726516 0.925664 O\n0.074336 0.942360 0.273484 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"O"
],
"chemical_system": "Ba-O-Zr",
"density": 5.823160750979019,
"density_atomic": 0.05237365333758187,
"volume": 420.05853321317596,
"volume_molar": 11.498416429313094,
"formula_full": "Ba8 Zr2 O12",
"formula_reduced": "Ba4ZrO6",
"formula_anonymous": "AB4C6",
"energy": -161.25110817,
"energy_per_atom": -7.329595825909092,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.00710817,
"band_gap": 3.1542000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017105,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.353000Z",
"spacegroup": 167
},
{
"id": "mp-1076665",
"created_at": "2022-09-04T14:45:58.318521Z",
"structure_string": "K1 Na7 V7 Cr1 O24\n1.0\n5.361594 -5.360912 0.000000\n5.361594 5.360912 0.000000\n0.001365 0.000000 7.581957\nK Na V Cr O\n1 7 7 1 24\ndirect\n0.249519 0.249519 0.249519 K\n0.249486 0.249486 0.750518 Na\n0.750523 0.249457 0.750523 Na\n0.750518 0.249486 0.249486 Na\n0.249457 0.750523 0.750523 Na\n0.750508 0.750508 0.750508 Na\n0.249486 0.750518 0.249486 Na\n0.750523 0.750523 0.249457 Na\n0.500682 0.999332 0.999332 V\n0.999332 0.999332 0.500682 V\n0.500729 0.999302 0.500729 V\n0.999332 0.500682 0.999332 V\n0.500729 0.500729 0.999302 V\n0.999302 0.500729 0.500729 V\n0.500702 0.500702 0.500702 V\n0.999275 0.999275 0.999275 Cr\n0.997748 0.254491 0.997748 O\n0.502141 0.251472 0.997848 O\n0.997848 0.251472 0.502141 O\n0.502232 0.250655 0.502232 O\n0.999397 0.745707 0.999397 O\n0.500602 0.748512 0.999331 O\n0.999331 0.748512 0.500602 O\n0.500561 0.749355 0.500561 O\n0.999397 0.999397 0.745707 O\n0.500602 0.999331 0.748512 O\n0.997748 0.997748 0.254491 O\n0.502141 0.997848 0.251472 O\n0.999331 0.500602 0.748512 O\n0.500561 0.500561 0.749355 O\n0.997848 0.502141 0.251472 O\n0.502232 0.502232 0.250655 O\n0.254491 0.997748 0.997748 O\n0.745707 0.999397 0.999397 O\n0.251472 0.997848 0.502141 O\n0.748512 0.999331 0.500602 O\n0.251472 0.502141 0.997848 O\n0.748512 0.500602 0.999331 O\n0.250655 0.502232 0.502232 O\n0.749355 0.500561 0.500561 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Na",
"V",
"Cr",
"O"
],
"chemical_system": "Cr-K-Na-O-V",
"density": 3.7816293936047294,
"density_atomic": 0.09177324239782475,
"volume": 435.85688981768067,
"volume_molar": 6.5619788542447095,
"formula_full": "K1 Na7 V7 Cr1 O24",
"formula_reduced": "KNa7V7CrO24",
"formula_anonymous": "ABC7D7E24",
"energy": -289.01875605,
"energy_per_atom": -7.225468901249999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -258.63175605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997642,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.565000Z",
"spacegroup": 160
},
{
"id": "mp-23297",
"created_at": "2022-09-04T14:45:58.349436Z",
"structure_string": "Br2 F6\n1.0\n2.900794 -3.912186 0.000000\n2.900794 3.912186 0.000000\n0.000000 0.000000 6.228833\nBr F\n2 6\ndirect\n0.160191 0.839809 0.742232 Br\n0.839809 0.160191 0.242232 Br\n0.932372 0.067628 0.909194 F\n0.067628 0.932372 0.409194 F\n0.737638 0.262362 0.501103 F\n0.262362 0.737638 0.001103 F\n0.629868 0.370132 0.117471 F\n0.370132 0.629868 0.617471 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Br",
"F"
],
"chemical_system": "Br-F",
"density": 3.2159328199565884,
"density_atomic": 0.05658703269291939,
"volume": 141.37514584681557,
"volume_molar": 10.642262853188159,
"formula_full": "Br2 F6",
"formula_reduced": "BrF3",
"formula_anonymous": "AB3",
"energy": -24.68218221,
"energy_per_atom": -3.08527277625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.91018221,
"band_gap": 2.211,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:14.793000Z",
"spacegroup": 36
},
{
"id": "mp-754415",
"created_at": "2022-09-04T14:45:58.363276Z",
"structure_string": "Tb6 Nb2 O14\n1.0\n3.773793 -5.310074 0.000000\n3.773793 5.310074 0.000000\n0.000000 0.000000 7.554363\nTb Nb O\n6 2 14\ndirect\n0.464239 0.999701 0.254106 Tb\n0.000299 0.535761 0.245894 Tb\n0.474217 0.474217 0.000000 Tb\n0.525783 0.525783 0.500000 Tb\n0.535761 0.000299 0.754106 Tb\n0.999701 0.464239 0.745894 Tb\n0.003400 0.003400 0.500000 Nb\n0.996600 0.996600 0.000000 Nb\n0.929833 0.070167 0.750000 O\n0.637766 0.362234 0.750000 O\n0.314897 0.061229 0.538334 O\n0.938771 0.685103 0.961666 O\n0.629441 0.370559 0.250000 O\n0.918607 0.672584 0.527904 O\n0.327416 0.081393 0.972096 O\n0.081393 0.327416 0.027904 O\n0.672584 0.918607 0.472096 O\n0.370559 0.629441 0.750000 O\n0.685103 0.938771 0.038334 O\n0.061229 0.314897 0.461666 O\n0.362234 0.637766 0.250000 O\n0.070167 0.929833 0.250000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Tb",
"Nb",
"O"
],
"chemical_system": "Nb-O-Tb",
"density": 7.477424292842212,
"density_atomic": 0.07266347906141987,
"volume": 302.76557473120954,
"volume_molar": 8.287713219607468,
"formula_full": "Tb6 Nb2 O14",
"formula_reduced": "Tb3NbO7",
"formula_anonymous": "AB3C7",
"energy": -199.63794272,
"energy_per_atom": -9.074451941818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.01994272,
"band_gap": 2.5783,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001397,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:13.215000Z",
"spacegroup": 20
}
]
}