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=156",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density&page=154",
"results": [
{
"id": "mp-1186650",
"created_at": "2022-09-04T14:40:21.699269Z",
"structure_string": "Pm1 Ta3\n1.0\n0.000000 3.460091 3.460091\n3.460091 0.000000 3.460091\n3.460091 3.460091 0.000000\nPm Ta\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Ta"
],
"chemical_system": "Pm-Ta",
"density": 13.786253668887845,
"density_atomic": 0.04828001909026877,
"volume": 82.85000866551505,
"volume_molar": 12.473360353773783,
"formula_full": "Pm1 Ta3",
"formula_reduced": "PmTa3",
"formula_anonymous": "AB3",
"energy": -38.32529705,
"energy_per_atom": -9.5813242625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.32529705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004528,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.429000Z",
"spacegroup": 225
},
{
"id": "mp-1206384",
"created_at": "2022-09-04T14:39:36.832627Z",
"structure_string": "Hf2 Al2 Pt4\n1.0\n-2.284637 -3.957108 0.000000\n-2.284637 3.957108 0.000000\n0.000000 0.000000 -7.939245\nHf Al Pt\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Hf\n0.000000 0.000000 0.500000 Hf\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.418440 Pt\n0.333333 0.666667 0.581560 Pt\n0.333333 0.666667 0.918440 Pt\n0.666667 0.333333 0.081560 Pt\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Pt"
],
"chemical_system": "Al-Hf-Pt",
"density": 13.780288259692147,
"density_atomic": 0.055729568145844385,
"volume": 143.55036771618228,
"volume_molar": 10.806006506707618,
"formula_full": "Hf2 Al2 Pt4",
"formula_reduced": "HfAlPt2",
"formula_anonymous": "ABC2",
"energy": -58.71109631,
"energy_per_atom": -7.33888703875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.71109631,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013646,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.116000Z",
"spacegroup": 194
},
{
"id": "mp-979965",
"created_at": "2022-09-04T14:47:04.516774Z",
"structure_string": "Yb1 Sm1 Pt2\n1.0\n0.000000 3.503836 3.503836\n3.503836 0.000000 3.503836\n3.503836 3.503836 0.000000\nYb Sm Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Sm\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Sm",
"Pt"
],
"chemical_system": "Pt-Sm-Yb",
"density": 13.7728290272557,
"density_atomic": 0.046494189814683756,
"volume": 86.0322551257087,
"volume_molar": 12.952458756681231,
"formula_full": "Yb1 Sm1 Pt2",
"formula_reduced": "YbSmPt2",
"formula_anonymous": "ABC2",
"energy": -22.94985987,
"energy_per_atom": -5.7374649675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.94985987,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010327,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.737000Z",
"spacegroup": 225
},
{
"id": "mp-21318",
"created_at": "2022-09-04T14:45:06.760585Z",
"structure_string": "Pt2 Pb4\n1.0\n-3.551390 3.551390 2.914328\n3.551390 -3.551390 2.914328\n3.551390 3.551390 -2.914328\nPt Pb\n2 4\ndirect\n0.750000 0.750000 0.000000 Pt\n0.250000 0.250000 0.000000 Pt\n0.660920 0.160920 0.821840 Pb\n0.160920 0.339080 0.500000 Pb\n0.839080 0.660920 0.500000 Pb\n0.339080 0.839080 0.178160 Pb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pt",
"Pb"
],
"chemical_system": "Pb-Pt",
"density": 13.767219828937217,
"density_atomic": 0.04080901338462092,
"volume": 147.0263430152205,
"volume_molar": 14.756888884428344,
"formula_full": "Pt2 Pb4",
"formula_reduced": "PtPb2",
"formula_anonymous": "AB2",
"energy": -27.846139200000003,
"energy_per_atom": -4.6410232,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.846139200000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002532,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:48.086000Z",
"spacegroup": 140
},
{
"id": "mp-1187499",
"created_at": "2022-09-04T14:45:17.319500Z",
"structure_string": "Ti1 Mn1 Ir2\n1.0\n0.000000 3.085872 3.085872\n3.085872 0.000000 3.085872\n3.085872 3.085872 0.000000\nTi Mn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Mn\n0.250000 0.250000 0.250000 Ir\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Ir"
],
"chemical_system": "Ir-Mn-Ti",
"density": 13.766624336982192,
"density_atomic": 0.06806067816342466,
"volume": 58.77108644723396,
"volume_molar": 8.848193880084281,
"formula_full": "Ti1 Mn1 Ir2",
"formula_reduced": "TiMnIr2",
"formula_anonymous": "ABC2",
"energy": -37.0455964,
"energy_per_atom": -9.2613991,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.0455964,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.8894607,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.573000Z",
"spacegroup": 225
},
{
"id": "mp-1185305",
"created_at": "2022-09-04T14:42:38.196629Z",
"structure_string": "Li1 Ge1 Pt2\n1.0\n0.000000 3.048606 3.048606\n3.048606 0.000000 3.048606\n3.048606 3.048606 0.000000\nLi Ge Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Ge\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ge",
"Pt"
],
"chemical_system": "Ge-Li-Pt",
"density": 13.765153728821486,
"density_atomic": 0.070587222850202,
"volume": 56.66747944580106,
"volume_molar": 8.531488443425518,
"formula_full": "Li1 Ge1 Pt2",
"formula_reduced": "LiGePt2",
"formula_anonymous": "ABC2",
"energy": -20.81381835,
"energy_per_atom": -5.2034545875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -20.81381835,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.043000Z",
"spacegroup": 225
},
{
"id": "mp-1208987",
"created_at": "2022-09-04T14:47:22.074334Z",
"structure_string": "Sc4 Mn2 B4 Ir10\n1.0\n9.425294 0.000000 0.000000\n0.000000 9.425294 0.000000\n0.000000 0.000000 3.062624\nSc Mn B Ir\n4 2 4 10\ndirect\n0.675619 0.175619 0.000000 Sc\n0.324381 0.824381 0.000000 Sc\n0.175619 0.324381 0.000000 Sc\n0.824381 0.675619 0.000000 Sc\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.125283 0.625283 0.000000 B\n0.874717 0.374717 0.000000 B\n0.625283 0.874717 0.000000 B\n0.374717 0.125283 0.000000 B\n0.216370 0.070763 0.500000 Ir\n0.783630 0.929237 0.500000 Ir\n0.070763 0.783630 0.500000 Ir\n0.716370 0.429237 0.500000 Ir\n0.929237 0.216370 0.500000 Ir\n0.283630 0.570763 0.500000 Ir\n0.570763 0.716370 0.500000 Ir\n0.429237 0.283630 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Mn",
"B",
"Ir"
],
"chemical_system": "B-Ir-Mn-Sc",
"density": 13.763663771950482,
"density_atomic": 0.07351001347732662,
"volume": 272.0717770806665,
"volume_molar": 8.192272692015576,
"formula_full": "Sc4 Mn2 B4 Ir10",
"formula_reduced": "Sc2MnB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy": -171.28816661,
"energy_per_atom": -8.5644083305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.28816661,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.026286,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.670000Z",
"spacegroup": 127
},
{
"id": "mp-866124",
"created_at": "2022-09-04T14:39:26.550531Z",
"structure_string": "Lu1 Tc2 W1\n1.0\n0.000000 3.222680 3.222680\n3.222680 0.000000 3.222680\n3.222680 3.222680 0.000000\nLu Tc W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Lu\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Tc",
"W"
],
"chemical_system": "Lu-Tc-W",
"density": 13.762885037537298,
"density_atomic": 0.05975557697605816,
"volume": 66.93935867446567,
"volume_molar": 10.077956008043982,
"formula_full": "Lu1 Tc2 W1",
"formula_reduced": "LuTc2W",
"formula_anonymous": "ABC2",
"energy": -38.55468264,
"energy_per_atom": -9.63867066,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.55468264,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0091193,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.315000Z",
"spacegroup": 225
},
{
"id": "mp-1222147",
"created_at": "2022-09-04T14:41:24.984464Z",
"structure_string": "Mg8 P8 Ir23\n1.0\n3.995310 0.000000 0.000000\n0.000000 8.612887 0.000000\n0.000000 0.013376 17.053248\nMg P Ir\n8 8 23\ndirect\n0.500000 0.709123 0.294280 Mg\n0.500000 0.290877 0.705720 Mg\n0.500000 0.210251 0.209456 Mg\n0.500000 0.789749 0.790544 Mg\n0.500000 0.093242 0.393003 Mg\n0.500000 0.906758 0.606997 Mg\n0.500000 0.593038 0.109291 Mg\n0.500000 0.406962 0.890709 Mg\n0.000000 0.258469 0.314958 P\n0.000000 0.741531 0.685042 P\n0.000000 0.756662 0.187277 P\n0.000000 0.243338 0.812723 P\n0.000000 0.866914 0.380225 P\n0.000000 0.133086 0.619775 P\n0.000000 0.367881 0.121831 P\n0.000000 0.632119 0.878169 P\n0.500000 0.401783 0.347624 Ir\n0.500000 0.598217 0.652376 Ir\n0.500000 0.903260 0.152851 Ir\n0.500000 0.096740 0.847149 Ir\n0.000000 0.309311 0.451290 Ir\n0.000000 0.690689 0.548710 Ir\n0.000000 0.803735 0.050769 Ir\n0.000000 0.196265 0.949231 Ir\n0.000000 0.594676 0.396410 Ir\n0.000000 0.405324 0.603590 Ir\n0.000000 0.100983 0.103968 Ir\n0.000000 0.899017 0.896032 Ir\n0.500000 0.787057 0.453360 Ir\n0.500000 0.212943 0.546640 Ir\n0.500000 0.295712 0.047559 Ir\n0.500000 0.704288 0.952441 Ir\n0.000000 0.499465 0.238442 Ir\n0.000000 0.500535 0.761558 Ir\n0.000000 0.999569 0.262525 Ir\n0.000000 0.000431 0.737475 Ir\n0.000000 0.000000 0.500000 Ir\n0.000000 0.500000 0.000000 Ir\n0.500000 0.000000 0.000000 Ir\n",
"nsites": 39,
"nelements": 3,
"elements": [
"Mg",
"P",
"Ir"
],
"chemical_system": "Ir-Mg-P",
"density": 13.761531614919294,
"density_atomic": 0.06645968330838291,
"volume": 586.8219356242513,
"volume_molar": 9.061344352268973,
"formula_full": "Mg8 P8 Ir23",
"formula_reduced": "Mg8P8Ir23",
"formula_anonymous": "A8B8C23",
"energy": -275.29523072,
"energy_per_atom": -7.0588520697435895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.29523072,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.620000Z",
"spacegroup": 10
},
{
"id": "mp-11278",
"created_at": "2022-09-04T14:48:22.316640Z",
"structure_string": "Ta4 Be2\n1.0\n-3.020442 3.020442 2.452996\n3.020442 -3.020442 2.452996\n3.020442 3.020442 -2.452996\nTa Be\n4 2\ndirect\n0.160905 0.660905 0.821810 Ta\n0.339095 0.160905 0.500000 Ta\n0.660905 0.839095 0.500000 Ta\n0.839095 0.339095 0.178190 Ta\n0.250000 0.250000 0.000000 Be\n0.750000 0.750000 0.000000 Be\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"Be"
],
"chemical_system": "Be-Ta",
"density": 13.760917565873743,
"density_atomic": 0.0670275611923293,
"volume": 89.51541564795357,
"volume_molar": 8.984573887031384,
"formula_full": "Ta4 Be2",
"formula_reduced": "Ta2Be",
"formula_anonymous": "AB2",
"energy": -55.87168717,
"energy_per_atom": -9.311947861666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.87168717,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007103,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:10.135000Z",
"spacegroup": 140
},
{
"id": "mp-1008610",
"created_at": "2022-09-04T14:41:55.382576Z",
"structure_string": "Au1 N1\n1.0\n0.000000 2.334904 2.334904\n2.334904 0.000000 2.334904\n2.334904 2.334904 0.000000\nAu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Au",
"N"
],
"chemical_system": "Au-N",
"density": 13.760665771601042,
"density_atomic": 0.07855845117187157,
"volume": 25.458750397514386,
"volume_molar": 7.66580892337688,
"formula_full": "Au1 N1",
"formula_reduced": "AuN",
"formula_anonymous": "AB",
"energy": -8.589862140000001,
"energy_per_atom": -4.2949310700000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -8.22886214,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007079,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.796000Z",
"spacegroup": 225
},
{
"id": "mp-19789",
"created_at": "2022-09-04T14:39:34.825330Z",
"structure_string": "Mn2 B4 W4\n1.0\n5.807908 0.000000 0.000000\n0.000000 5.807908 0.000000\n0.000000 0.000000 3.179021\nMn B W\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.113826 0.613826 0.000000 B\n0.886174 0.386174 0.000000 B\n0.613826 0.886174 0.000000 B\n0.386174 0.113826 0.000000 B\n0.822161 0.677839 0.500000 W\n0.177839 0.322161 0.500000 W\n0.677839 0.177839 0.500000 W\n0.322161 0.822161 0.500000 W\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"B",
"W"
],
"chemical_system": "B-Mn-W",
"density": 13.758273678823542,
"density_atomic": 0.09325393069540935,
"volume": 107.23408574232114,
"volume_molar": 6.457787586101669,
"formula_full": "Mn2 B4 W4",
"formula_reduced": "Mn(BW)2",
"formula_anonymous": "AB2C2",
"energy": -101.01591107000002,
"energy_per_atom": -10.101591107,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.01591107000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.2247083,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:34.134000Z",
"spacegroup": 127
}
]
}