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=structure_string&page=11461",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=structure_string&page=11459",
"results": [
{
"id": "mp-759856",
"created_at": "2022-09-04T14:43:04.791858Z",
"structure_string": "W2 O4 F4\n1.0\n2.741446 -2.746827 0.000000\n2.741446 2.746827 0.000000\n0.000000 0.000000 9.493492\nW O F\n2 4 4\ndirect\n0.279816 0.279816 0.250000 W\n0.720184 0.720184 0.750000 W\n0.743234 0.245939 0.750000 O\n0.754061 0.256766 0.250000 O\n0.245939 0.743234 0.750000 O\n0.256766 0.754061 0.250000 O\n0.241215 0.241215 0.051551 F\n0.241215 0.241215 0.448449 F\n0.758785 0.758785 0.551551 F\n0.758785 0.758785 0.948449 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"W",
"O",
"F"
],
"chemical_system": "F-O-W",
"density": 5.896097374942514,
"density_atomic": 0.06994118918621658,
"volume": 142.9772658479578,
"volume_molar": 8.610292204163427,
"formula_full": "W2 O4 F4",
"formula_reduced": "W(OF)2",
"formula_anonymous": "AB2C2",
"energy": -78.19716215,
"energy_per_atom": -7.819716215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.72516215,
"band_gap": 1.7757,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.99e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.123000Z",
"spacegroup": 63
},
{
"id": "mp-759764",
"created_at": "2022-09-04T14:48:07.278638Z",
"structure_string": "W2 O4 F4\n1.0\n3.888529 0.000000 0.000000\n0.000000 6.608658 0.000000\n0.000000 0.000000 7.720722\nW O F\n2 4 4\ndirect\n0.961871 0.000000 0.977738 W\n0.038129 0.000000 0.477738 W\n0.491777 0.000000 0.968295 O\n0.002882 0.000000 0.716142 O\n0.508223 0.000000 0.468295 O\n0.997118 0.000000 0.216142 O\n0.004106 0.284406 0.957473 F\n0.004106 0.715594 0.957473 F\n0.995894 0.284406 0.457473 F\n0.995894 0.715594 0.457473 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"W",
"O",
"F"
],
"chemical_system": "F-O-W",
"density": 4.2488862092823005,
"density_atomic": 0.05040150039873068,
"volume": 198.40679187899417,
"volume_molar": 11.94833628435328,
"formula_full": "W2 O4 F4",
"formula_reduced": "W(OF)2",
"formula_anonymous": "AB2C2",
"energy": -78.19899874,
"energy_per_atom": -7.819899873999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.72699874,
"band_gap": 1.6949,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009352,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.436000Z",
"spacegroup": 26
},
{
"id": "mp-1386422",
"created_at": "2022-09-04T14:47:11.634605Z",
"structure_string": "W2 O6\n1.0\n1.778699 -3.080797 0.000000\n1.778699 3.080797 0.000000\n0.000000 0.000000 10.939766\nW O\n2 6\ndirect\n0.666667 0.333333 0.750000 W\n0.333333 0.666667 0.250000 W\n0.333333 0.666667 0.415029 O\n0.666667 0.333333 0.915029 O\n0.666667 0.333333 0.584971 O\n0.333333 0.666667 0.084971 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.421855327862977,
"density_atomic": 0.0667246670102019,
"volume": 119.89569013175948,
"volume_molar": 9.025359031134983,
"formula_full": "W2 O6",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy": -63.30101923,
"energy_per_atom": -7.91262740375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.30301923,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9438591,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.316000Z",
"spacegroup": 194
},
{
"id": "mp-636284",
"created_at": "2022-09-04T14:45:40.499159Z",
"structure_string": "W2 O6\n1.0\n2.746807 -2.747630 0.000000\n2.746807 2.747630 0.000000\n0.000000 0.000000 7.681691\nW O\n2 6\ndirect\n0.533753 0.466247 0.750000 W\n0.466247 0.533753 0.250000 W\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.487791 0.015564 0.250000 O\n0.984436 0.512209 0.250000 O\n0.512209 0.984436 0.750000 O\n0.015564 0.487791 0.750000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.640348385589704,
"density_atomic": 0.06899486398234517,
"volume": 115.95065977732908,
"volume_molar": 8.728389929924324,
"formula_full": "W2 O6",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy": -73.06653653000001,
"energy_per_atom": -9.133317066250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.06853653,
"band_gap": 1.6648,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001562,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:14.315000Z",
"spacegroup": 63
},
{
"id": "mp-715923",
"created_at": "2022-09-04T14:40:17.005706Z",
"structure_string": "W2 O6\n1.0\n3.859690 0.000000 0.000000\n0.000000 3.866772 0.000000\n0.000000 0.000000 7.720252\nW O\n2 6\ndirect\n0.000000 0.010775 0.750000 W\n0.000000 0.989225 0.250000 W\n0.500000 0.010338 0.250000 O\n0.500000 0.989662 0.750000 O\n0.000000 0.496644 0.750000 O\n0.000000 0.503356 0.250000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.682386992193365,
"density_atomic": 0.06943165551438604,
"volume": 115.22121920803721,
"volume_molar": 8.6734800076202,
"formula_full": "W2 O6",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy": -73.06834363,
"energy_per_atom": -9.13354295375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.07034363,
"band_gap": 1.1694,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.655000Z",
"spacegroup": 51
},
{
"id": "mp-19443",
"created_at": "2022-09-04T14:40:14.930956Z",
"structure_string": "W2 O6\n1.0\n5.440348 0.000000 0.000000\n0.000000 5.440348 0.000000\n0.000000 0.000000 3.908073\nW O\n2 6\ndirect\n0.000000 0.500000 0.961293 W\n0.500000 0.000000 0.038707 W\n0.000000 0.500000 0.491128 O\n0.500000 0.000000 0.508872 O\n0.250000 0.250000 0.000000 O\n0.750000 0.250000 0.000000 O\n0.750000 0.750000 0.000000 O\n0.250000 0.750000 0.000000 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"W",
"O"
],
"chemical_system": "O-W",
"density": 6.656532552676546,
"density_atomic": 0.0691630214858351,
"volume": 115.6687465083988,
"volume_molar": 8.7071684125792,
"formula_full": "W2 O6",
"formula_reduced": "WO3",
"formula_anonymous": "AB3",
"energy": -73.0836012,
"energy_per_atom": -9.13545015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.0856012,
"band_gap": 0.8578,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001108,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.634000Z",
"spacegroup": 129
},
{
"id": "mp-28575",
"created_at": "2022-09-04T14:42:48.482766Z",
"structure_string": "W2 S16 Cl12\n1.0\n8.512666 0.000000 0.000000\n-0.016377 8.517355 0.000000\n-2.381314 -1.472031 14.240378\nW S Cl\n2 16 12\ndirect\n0.712666 0.223476 0.892777 W\n0.287334 0.776524 0.107223 W\n0.427193 0.750904 0.656783 S\n0.572807 0.249096 0.343217 S\n0.268170 0.898008 0.586541 S\n0.731830 0.101992 0.413459 S\n0.092574 0.957759 0.665482 S\n0.907426 0.042241 0.334518 S\n0.896025 0.812081 0.618286 S\n0.103975 0.187919 0.381714 S\n0.901131 0.628997 0.701541 S\n0.098869 0.371003 0.298459 S\n0.996868 0.433924 0.636774 S\n0.003132 0.566076 0.363226 S\n0.235009 0.422340 0.692319 S\n0.764991 0.577660 0.307681 S\n0.631166 0.480048 0.394527 S\n0.368834 0.519952 0.605473 S\n0.752409 0.250044 0.054570 Cl\n0.247591 0.749956 0.945430 Cl\n0.672844 0.196326 0.730508 Cl\n0.327156 0.803674 0.269492 Cl\n0.450965 0.147319 0.889247 Cl\n0.549035 0.852681 0.110753 Cl\n0.636852 0.483796 0.892146 Cl\n0.363148 0.516204 0.107854 Cl\n0.974036 0.300459 0.895797 Cl\n0.025964 0.699541 0.104203 Cl\n0.788126 0.963058 0.892858 Cl\n0.211874 0.036942 0.107142 Cl\n",
"nsites": 30,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 2.1006431730966346,
"density_atomic": 0.02905556965467986,
"volume": 1032.5042790950074,
"volume_molar": 20.726287013374865,
"formula_full": "W2 S16 Cl12",
"formula_reduced": "W(S4Cl3)2",
"formula_anonymous": "AB6C8",
"energy": -141.72516997,
"energy_per_atom": -4.724172332333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.30916997,
"band_gap": 0.5482,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065891,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:50.060000Z",
"spacegroup": 2
},
{
"id": "mp-1004526",
"created_at": "2022-09-04T14:45:22.396499Z",
"structure_string": "W2 S2\n1.0\n1.512755 -2.620168 0.000000\n1.512755 2.620168 0.000000\n0.000000 0.000000 8.180800\nW S\n2 2\ndirect\n0.666667 0.333333 0.536287 W\n0.333333 0.666667 0.036287 W\n0.666667 0.333333 0.840713 S\n0.333333 0.666667 0.340713 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"W",
"S"
],
"chemical_system": "S-W",
"density": 11.0565156938623,
"density_atomic": 0.06167888084722244,
"volume": 64.85201976845094,
"volume_molar": 9.763699790397855,
"formula_full": "W2 S2",
"formula_reduced": "WS",
"formula_anonymous": "AB",
"energy": -35.9262285,
"energy_per_atom": -8.981557125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9202285,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003956,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.749000Z",
"spacegroup": 186
},
{
"id": "mp-1205307",
"created_at": "2022-09-04T14:47:30.716840Z",
"structure_string": "W2 S2 Cl8\n1.0\n6.443909 0.000000 0.000000\n0.743752 7.441025 0.000000\n3.195461 1.859636 7.783704\nW S Cl\n2 2 8\ndirect\n0.139496 0.760479 0.784553 W\n0.860504 0.239521 0.215447 W\n0.298776 0.017625 0.709877 S\n0.701224 0.982375 0.290123 S\n0.117461 0.657564 0.068999 Cl\n0.882539 0.342436 0.931001 Cl\n0.434120 0.558125 0.718031 Cl\n0.565880 0.441875 0.281969 Cl\n0.082418 0.734144 0.542998 Cl\n0.917582 0.265856 0.457002 Cl\n0.767919 0.837329 0.891863 Cl\n0.232081 0.162671 0.108137 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 3.18309938327685,
"density_atomic": 0.03215235375302847,
"volume": 373.2230645437492,
"volume_molar": 18.730015246341857,
"formula_full": "W2 S2 Cl8",
"formula_reduced": "WSCl4",
"formula_anonymous": "ABC4",
"energy": -64.43108374,
"energy_per_atom": -5.3692569783333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.51308374,
"band_gap": 1.8865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0082711,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:11.931000Z",
"spacegroup": 2
},
{
"id": "mp-27475",
"created_at": "2022-09-04T14:41:31.990858Z",
"structure_string": "W2 S2 Cl8\n1.0\n-6.693469 0.000000 0.000000\n-0.345180 -7.970547 0.000000\n2.047207 1.695945 7.942936\nW S Cl\n2 2 8\ndirect\n0.857022 0.237340 0.784474 W\n0.142978 0.762660 0.215526 W\n0.696549 0.001848 0.714290 S\n0.303451 0.998152 0.285710 S\n0.143980 0.672396 0.934203 Cl\n0.856020 0.327604 0.065797 Cl\n0.395263 0.563583 0.268323 Cl\n0.604737 0.436417 0.731677 Cl\n0.057895 0.731972 0.457884 Cl\n0.942105 0.268028 0.542116 Cl\n0.804578 0.836599 0.123305 Cl\n0.195422 0.163401 0.876695 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 2.8034849330202265,
"density_atomic": 0.028317884066490617,
"volume": 423.7604748936716,
"volume_molar": 21.2662102361178,
"formula_full": "W2 S2 Cl8",
"formula_reduced": "WSCl4",
"formula_anonymous": "ABC4",
"energy": -64.48801252,
"energy_per_atom": -5.374001043333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.570012520000006,
"band_gap": 1.9711,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.021000Z",
"spacegroup": 2
},
{
"id": "mp-756473",
"created_at": "2022-09-04T14:45:22.231224Z",
"structure_string": "W2 S2 Cl8\n1.0\n6.708660 0.000000 0.000000\n-0.452264 7.933761 0.000000\n-0.582257 -1.609550 7.888647\nW S Cl\n2 2 8\ndirect\n0.141591 0.212749 0.760078 W\n0.858409 0.787251 0.239922 W\n0.320301 0.270933 0.991762 S\n0.679699 0.729067 0.008238 S\n0.829517 0.141712 0.838675 Cl\n0.832578 0.079032 0.329180 Cl\n0.361086 0.253551 0.563547 Cl\n0.018914 0.469489 0.727098 Cl\n0.981086 0.530511 0.272902 Cl\n0.638914 0.746449 0.436453 Cl\n0.167422 0.920968 0.670820 Cl\n0.170483 0.858288 0.161325 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 2.829444989500461,
"density_atomic": 0.028580105511345995,
"volume": 419.8724877077913,
"volume_molar": 21.07109351856408,
"formula_full": "W2 S2 Cl8",
"formula_reduced": "WSCl4",
"formula_anonymous": "ABC4",
"energy": -64.45579153,
"energy_per_atom": -5.371315960833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.53779153,
"band_gap": 1.9545,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.194000Z",
"spacegroup": 2
},
{
"id": "mp-979414",
"created_at": "2022-09-04T14:41:23.521001Z",
"structure_string": "W2 S2 Cl8\n1.0\n6.988988 0.000000 0.000000\n1.466271 7.874508 0.000000\n1.632161 1.599349 7.779967\nW S Cl\n2 2 8\ndirect\n0.859193 0.751466 0.802094 W\n0.140807 0.248534 0.197906 W\n0.657824 0.980440 0.760640 S\n0.342176 0.019560 0.239360 S\n0.139787 0.848613 0.829814 Cl\n0.017004 0.719188 0.531145 Cl\n0.809001 0.664410 0.099288 Cl\n0.680411 0.538695 0.798530 Cl\n0.319589 0.461305 0.201470 Cl\n0.190999 0.335590 0.900712 Cl\n0.982996 0.280812 0.468855 Cl\n0.860213 0.151387 0.170186 Cl\n",
"nsites": 12,
"nelements": 3,
"elements": [
"W",
"S",
"Cl"
],
"chemical_system": "Cl-S-W",
"density": 2.7746179707078027,
"density_atomic": 0.028026300087391317,
"volume": 428.1692539715098,
"volume_molar": 21.487462637671843,
"formula_full": "W2 S2 Cl8",
"formula_reduced": "WSCl4",
"formula_anonymous": "ABC4",
"energy": -64.44833036,
"energy_per_atom": -5.370694196666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.53033036,
"band_gap": 1.965,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:26.996000Z",
"spacegroup": 2
}
]
}