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_full&page=10370",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10368",
"results": [
{
"id": "mp-1218115",
"created_at": "2022-09-04T14:41:34.975268Z",
"structure_string": "Ta2 Re2 Sn1 Se8\n1.0\n1.720198 -2.979471 0.000000\n1.720198 2.979471 0.000000\n0.000000 0.000000 32.395509\nTa Re Sn Se\n2 2 1 8\ndirect\n0.333333 0.666667 0.385878 Ta\n0.333333 0.666667 0.874981 Ta\n0.333333 0.666667 0.112497 Re\n0.333333 0.666667 0.625186 Re\n0.333333 0.666667 0.252579 Sn\n0.666667 0.333333 0.333379 Se\n0.666667 0.333333 0.822931 Se\n0.000000 0.000000 0.163149 Se\n0.000000 0.000000 0.673181 Se\n0.000000 0.000000 0.064378 Se\n0.000000 0.000000 0.577099 Se\n0.666667 0.333333 0.437778 Se\n0.666667 0.333333 0.926984 Se\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ta",
"Re",
"Sn",
"Se"
],
"chemical_system": "Re-Se-Sn-Ta",
"density": 7.424296898834568,
"density_atomic": 0.03914812330780154,
"volume": 332.072112315262,
"volume_molar": 15.382961560254133,
"formula_full": "Ta2 Re2 Sn1 Se8",
"formula_reduced": "Ta2Re2SnSe8",
"formula_anonymous": "AB2C2D8",
"energy": -89.36191726999999,
"energy_per_atom": -6.873993636153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.58591727,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7717338,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.748000Z",
"spacegroup": 156
},
{
"id": "mp-1095986",
"created_at": "2022-09-04T14:46:38.454071Z",
"structure_string": "Ta2 Rh1 W1\n1.0\n-4.629120 5.483361 7.757292\n4.629120 -5.483361 7.757292\n4.629120 5.483361 -7.757292\nTa Rh W\n2 1 1\ndirect\n0.000000 0.250210 0.250210 Ta\n0.000000 0.749790 0.749790 Ta\n0.000000 0.000000 0.000000 Rh\n0.000000 0.500000 0.500000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Rh",
"W"
],
"chemical_system": "Rh-Ta-W",
"density": 1.3675343989933368,
"density_atomic": 0.0050786067156602934,
"volume": 787.6175935548774,
"volume_molar": 118.57860033599853,
"formula_full": "Ta2 Rh1 W1",
"formula_reduced": "Ta2RhW",
"formula_anonymous": "ABC2",
"energy": -26.38987719,
"energy_per_atom": -6.5974692975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.38987719,
"band_gap": 0.4457,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3657306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.389000Z",
"spacegroup": 71
},
{
"id": "mp-760402",
"created_at": "2022-09-04T14:47:07.707462Z",
"structure_string": "Ta2 Rh2 O8\n1.0\n-3.385718 3.385718 3.042749\n3.385718 -3.385718 3.042749\n3.385718 3.385718 -3.042749\nTa Rh O\n2 2 8\ndirect\n0.261021 0.761021 0.500000 Ta\n0.011021 0.011021 0.000000 Ta\n0.748696 0.248696 0.500000 Rh\n0.498696 0.498696 0.000000 Rh\n0.439688 0.237037 0.202651 O\n0.955505 0.758104 0.197401 O\n0.008104 0.310703 0.302599 O\n0.487037 0.784387 0.297349 O\n0.008104 0.705505 0.697401 O\n0.487037 0.189688 0.702651 O\n0.560703 0.758104 0.802599 O\n0.034387 0.237037 0.797349 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ta",
"Rh",
"O"
],
"chemical_system": "O-Rh-Ta",
"density": 8.28027269715887,
"density_atomic": 0.08601091374940124,
"volume": 139.5171784241571,
"volume_molar": 7.001600724235908,
"formula_full": "Ta2 Rh2 O8",
"formula_reduced": "TaRhO4",
"formula_anonymous": "ABC4",
"energy": -106.69367133999998,
"energy_per_atom": -8.891139278333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.19767134,
"band_gap": 0.9714,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.26e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.166000Z",
"spacegroup": 109
},
{
"id": "mp-1187211",
"created_at": "2022-09-04T14:42:57.847552Z",
"structure_string": "Ta2 Ru1 W1\n1.0\n0.000000 3.211836 3.211836\n3.211836 0.000000 3.211836\n3.211836 3.211836 0.000000\nTa Ru W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Ru",
"W"
],
"chemical_system": "Ru-Ta-W",
"density": 16.20812941805435,
"density_atomic": 0.06036287422397185,
"volume": 66.26589690143489,
"volume_molar": 9.976563968202218,
"formula_full": "Ta2 Ru1 W1",
"formula_reduced": "Ta2RuW",
"formula_anonymous": "ABC2",
"energy": -47.08025101,
"energy_per_atom": -11.7700627525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.08025101,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.453000Z",
"spacegroup": 225
},
{
"id": "mp-1187258",
"created_at": "2022-09-04T14:46:04.617367Z",
"structure_string": "Ta2 Ru6\n1.0\n2.801285 -4.851968 0.000000\n2.801285 4.851968 0.000000\n0.000000 0.000000 4.391137\nTa Ru\n2 6\ndirect\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.166640 0.333280 0.250000 Ru\n0.666720 0.833360 0.250000 Ru\n0.166640 0.833360 0.250000 Ru\n0.833360 0.666720 0.750000 Ru\n0.333280 0.166640 0.750000 Ru\n0.833360 0.166640 0.750000 Ru\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 13.47050543654023,
"density_atomic": 0.06702051807994887,
"volume": 119.36643029910316,
"volume_molar": 8.985518065999102,
"formula_full": "Ta2 Ru6",
"formula_reduced": "TaRu3",
"formula_anonymous": "AB3",
"energy": -80.88891285,
"energy_per_atom": -10.11111410625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.88891285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00347,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.156000Z",
"spacegroup": 194
},
{
"id": "mp-1245990",
"created_at": "2022-09-04T14:44:47.508718Z",
"structure_string": "Ta2 S2 N2\n1.0\n3.574111 0.000000 0.000000\n0.000000 3.574111 0.000000\n0.000000 0.000000 6.103760\nTa S N\n2 2 2\ndirect\n0.500000 0.000000 0.185210 Ta\n0.000000 0.500000 0.814790 Ta\n0.500000 0.000000 0.616738 S\n0.000000 0.500000 0.383262 S\n0.500000 0.500000 0.000000 N\n0.000000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"S",
"N"
],
"chemical_system": "N-S-Ta",
"density": 9.669608434955341,
"density_atomic": 0.07695161330512727,
"volume": 77.97107483905371,
"volume_molar": 7.825879798154597,
"formula_full": "Ta2 S2 N2",
"formula_reduced": "TaSN",
"formula_anonymous": "ABC",
"energy": -55.39503471,
"energy_per_atom": -9.232505784999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.66703471,
"band_gap": 0.4626999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002729,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.089000Z",
"spacegroup": 129
},
{
"id": "mp-1217915",
"created_at": "2022-09-04T14:42:38.230256Z",
"structure_string": "Ta2 S4\n1.0\n1.671973 -2.894956 0.000000\n1.671973 2.894956 0.000000\n0.000000 0.000000 23.614050\nTa S\n2 4\ndirect\n0.917834 0.082166 0.250000 Ta\n0.082166 0.917834 0.750000 Ta\n0.748798 0.251202 0.683854 S\n0.748798 0.251202 0.816146 S\n0.251202 0.748798 0.316146 S\n0.251202 0.748798 0.183854 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 3.560504234656855,
"density_atomic": 0.02624699261119302,
"volume": 228.59761835880968,
"volume_molar": 22.944117252625205,
"formula_full": "Ta2 S4",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -48.54629425,
"energy_per_atom": -8.091049041666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.53429425,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002346,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.931000Z",
"spacegroup": 63
},
{
"id": "mp-755523",
"created_at": "2022-09-04T14:40:55.629390Z",
"structure_string": "Ta2 S4\n1.0\n12.834645 -1.686459 0.000000\n12.834645 1.686459 0.000000\n12.613046 0.000000 2.912614\nTa S\n2 4\ndirect\n0.917086 0.917086 0.917086 Ta\n0.082914 0.082914 0.082914 Ta\n0.789654 0.789654 0.789654 S\n0.210346 0.210346 0.210346 S\n0.623818 0.623818 0.623818 S\n0.376182 0.376182 0.376182 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 6.455213808500706,
"density_atomic": 0.04758594231856547,
"volume": 126.08765756560679,
"volume_molar": 12.655293699312718,
"formula_full": "Ta2 S4",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -48.43928289,
"energy_per_atom": -8.073213815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.42728289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082465,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.388000Z",
"spacegroup": 166
},
{
"id": "mp-16226",
"created_at": "2022-09-04T14:45:31.071095Z",
"structure_string": "Ta2 S4\n1.0\n13.133382 -1.681727 0.000000\n13.133382 1.681727 0.000000\n12.918037 0.000000 2.904866\nTa S\n2 4\ndirect\n0.916909 0.916909 0.916909 Ta\n0.082857 0.082857 0.082857 Ta\n0.622693 0.622693 0.622693 S\n0.455789 0.455789 0.455789 S\n0.211111 0.211111 0.211111 S\n0.376640 0.376640 0.376640 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 6.343004737039755,
"density_atomic": 0.04675876996447101,
"volume": 128.31817442073466,
"volume_molar": 12.87916847379826,
"formula_full": "Ta2 S4",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -48.52120515,
"energy_per_atom": -8.086867525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.50920515,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009766,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:00.308000Z",
"spacegroup": 160
},
{
"id": "mp-1072086",
"created_at": "2022-09-04T14:45:22.396497Z",
"structure_string": "Ta2 S4\n1.0\n1.672312 -2.896529 0.000000\n1.672312 2.896529 0.000000\n0.000000 0.000000 17.691022\nTa S\n2 4\ndirect\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n0.000000 0.000000 0.838343 S\n0.000000 0.000000 0.661657 S\n0.000000 0.000000 0.338343 S\n0.000000 0.000000 0.161657 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 4.74903207302698,
"density_atomic": 0.03500847113669303,
"volume": 171.38709018661737,
"volume_molar": 17.201953025843743,
"formula_full": "Ta2 S4",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -48.54983303,
"energy_per_atom": -8.091638838333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.53783303,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0202722,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:09.771000Z",
"spacegroup": 194
},
{
"id": "mp-1984",
"created_at": "2022-09-04T14:43:09.461996Z",
"structure_string": "Ta2 S4\n1.0\n1.671059 -2.894360 0.000000\n1.671059 2.894360 0.000000\n0.000000 0.000000 13.760229\nTa S\n2 4\ndirect\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.333333 0.666667 0.136359 S\n0.666667 0.333333 0.636359 S\n0.666667 0.333333 0.863641 S\n0.333333 0.666667 0.363641 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 6.114813551853877,
"density_atomic": 0.04507661149567471,
"volume": 133.10672210966268,
"volume_molar": 13.359790277443214,
"formula_full": "Ta2 S4",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -48.56412986,
"energy_per_atom": -8.094021643333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.55212986,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0252302,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:00.785000Z",
"spacegroup": 194
},
{
"id": "mp-1208549",
"created_at": "2022-09-04T14:43:18.659074Z",
"structure_string": "Ta2 S4 N2\n1.0\n1.675562 -2.902159 0.000000\n1.675562 2.902159 0.000000\n0.000000 0.000000 17.640207\nTa S N\n2 4 2\ndirect\n0.666667 0.333333 0.912999 Ta\n0.333333 0.666667 0.412999 Ta\n0.000000 0.000000 0.001408 S\n0.000000 0.000000 0.501408 S\n0.000000 0.000000 0.824570 S\n0.000000 0.000000 0.324570 S\n0.666667 0.333333 0.663023 N\n0.333333 0.666667 0.163023 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"S",
"N"
],
"chemical_system": "N-S-Ta",
"density": 5.0153966013537445,
"density_atomic": 0.046630987164138465,
"volume": 171.55973927466832,
"volume_molar": 12.91446123326191,
"formula_full": "Ta2 S4 N2",
"formula_reduced": "TaS2N",
"formula_anonymous": "ABC2",
"energy": -55.51856301,
"energy_per_atom": -6.93982037625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.78456301,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.8883108,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.944000Z",
"spacegroup": 186
}
]
}