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_reduced&page=10407",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10405",
"results": [
{
"id": "mp-1217908",
"created_at": "2022-09-04T14:41:24.722507Z",
"structure_string": "Ta1 Ru1\n1.0\n1.654122 -2.341613 0.000000\n1.654122 2.341613 0.000000\n0.000000 0.000000 4.162423\nTa Ru\n1 1\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 14.523352366055342,
"density_atomic": 0.06202562212416405,
"volume": 32.24473905310232,
"volume_molar": 9.709117867362565,
"formula_full": "Ta1 Ru1",
"formula_reduced": "TaRu",
"formula_anonymous": "AB",
"energy": -21.41183502,
"energy_per_atom": -10.70591751,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.41183502,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002267,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.256000Z",
"spacegroup": 65
},
{
"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-867816",
"created_at": "2022-09-04T14:41:03.876267Z",
"structure_string": "Ta1 Ru3\n1.0\n3.907380 0.000000 0.000000\n0.000000 3.907380 0.000000\n0.000000 0.000000 3.907380\nTa Ru\n1 3\ndirect\n0.500000 0.500000 0.500000 Ta\n0.500000 0.000000 0.000000 Ru\n0.000000 0.500000 0.000000 Ru\n0.000000 0.000000 0.500000 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 13.476563266642295,
"density_atomic": 0.06705065792242126,
"volume": 59.656387035427265,
"volume_molar": 8.981478999009553,
"formula_full": "Ta1 Ru3",
"formula_reduced": "TaRu3",
"formula_anonymous": "AB3",
"energy": -40.51343338,
"energy_per_atom": -10.128358345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.51343338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024917,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.923000Z",
"spacegroup": 221
},
{
"id": "mp-1217912",
"created_at": "2022-09-04T14:41:15.475394Z",
"structure_string": "Ta1 Ru3\n1.0\n1.391674 -2.410451 0.000000\n1.391674 2.410451 0.000000\n0.000000 0.000000 8.994146\nTa Ru\n1 3\ndirect\n0.333333 0.666667 0.000000 Ta\n0.333333 0.666667 0.500000 Ru\n0.000000 0.000000 0.265105 Ru\n0.000000 0.000000 0.734895 Ru\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ta",
"Ru"
],
"chemical_system": "Ru-Ta",
"density": 13.32325537285441,
"density_atomic": 0.06628789705084043,
"volume": 60.342840517811936,
"volume_molar": 9.084826986412368,
"formula_full": "Ta1 Ru3",
"formula_reduced": "TaRu3",
"formula_anonymous": "AB3",
"energy": -39.56250881,
"energy_per_atom": -9.8906272025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.56250881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030922,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.974000Z",
"spacegroup": 187
},
{
"id": "mp-22087",
"created_at": "2022-09-04T14:43:17.916594Z",
"structure_string": "Ta1 Ru3 C1\n1.0\n4.055608 0.000000 0.000000\n0.000000 4.055608 0.000000\n0.000000 0.000000 4.055608\nTa Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ta",
"Ru",
"C"
],
"chemical_system": "C-Ru-Ta",
"density": 12.35123666097595,
"density_atomic": 0.07495525589122756,
"volume": 66.70646294978734,
"volume_molar": 8.034314189706883,
"formula_full": "Ta1 Ru3 C1",
"formula_reduced": "TaRu3C",
"formula_anonymous": "ABC3",
"energy": -49.29248757,
"energy_per_atom": -9.858497514,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.29248757,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.48e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:12.492000Z",
"spacegroup": 221
},
{
"id": "mp-10628",
"created_at": "2022-09-04T14:44:13.918592Z",
"structure_string": "Ta1 S1\n1.0\n1.640445 -2.841334 0.000000\n1.640445 2.841334 0.000000\n0.000000 0.000000 3.332707\nTa S\n1 1\ndirect\n0.666667 0.333333 0.000000 Ta\n0.000000 0.000000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 11.385284042141908,
"density_atomic": 0.06437524634008472,
"volume": 31.067842279535547,
"volume_molar": 9.354745965842117,
"formula_full": "Ta1 S1",
"formula_reduced": "TaS",
"formula_anonymous": "AB",
"energy": -17.84092865,
"energy_per_atom": -8.920464325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -17.33792865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001694,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.331000Z",
"spacegroup": 187
},
{
"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-555037",
"created_at": "2022-09-04T14:40:29.656807Z",
"structure_string": "Ta1 S2\n1.0\n6.839370 -1.687175 0.000000\n6.839370 1.687175 0.000000\n6.423167 0.000000 2.892483\nTa S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.257576 0.257576 0.257576 S\n0.742424 0.742424 0.742424 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 6.096438133156916,
"density_atomic": 0.04494115330015505,
"volume": 66.75396111807504,
"volume_molar": 13.400058338020497,
"formula_full": "Ta1 S2",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -24.20680617,
"energy_per_atom": -8.06893539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.20080617,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0139754,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.244000Z",
"spacegroup": 166
},
{
"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-1690",
"created_at": "2022-09-04T14:40:14.738077Z",
"structure_string": "Ta1 S2\n1.0\n1.689143 -2.925682 0.000000\n1.689143 2.925682 0.000000\n0.000000 0.000000 6.952859\nTa S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.666667 0.333333 0.779259 S\n0.333333 0.666667 0.220741 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 5.921970735880051,
"density_atomic": 0.04365503083394732,
"volume": 68.72060201746828,
"volume_molar": 13.794837948704465,
"formula_full": "Ta1 S2",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy": -24.21458789,
"energy_per_atom": -8.071529296666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.20858789,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0186997,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.906000Z",
"spacegroup": 164
}
]
}