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=25",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=23",
"results": [
{
"id": "mp-860957",
"created_at": "2022-09-04T14:45:16.580498Z",
"structure_string": "Zr5 Ti7 O24\n1.0\n5.651111 0.000000 0.000000\n0.000000 4.812172 0.000000\n0.000000 0.415922 15.204927\nZr Ti O\n5 7 24\ndirect\n0.813943 0.000000 0.000000 Zr\n0.205409 0.000000 0.500000 Zr\n0.803516 0.988899 0.334063 Zr\n0.803516 0.011101 0.665937 Zr\n0.310537 0.500000 0.000000 Zr\n0.189191 0.011627 0.829727 Ti\n0.189191 0.988373 0.170273 Ti\n0.322569 0.487428 0.329778 Ti\n0.322569 0.512572 0.670222 Ti\n0.686107 0.488626 0.166888 Ti\n0.686107 0.511374 0.833112 Ti\n0.671389 0.500000 0.500000 Ti\n0.888133 0.241819 0.550675 O\n0.113385 0.199813 0.063292 O\n0.894046 0.259625 0.887823 O\n0.882501 0.212705 0.217519 O\n0.110773 0.228911 0.384029 O\n0.122565 0.241414 0.722972 O\n0.609125 0.286531 0.061790 O\n0.383439 0.247278 0.226358 O\n0.395879 0.289031 0.567351 O\n0.390954 0.260849 0.886767 O\n0.591575 0.260542 0.400407 O\n0.615605 0.318452 0.726684 O\n0.383439 0.752722 0.773642 O\n0.609125 0.713469 0.938210 O\n0.390954 0.739151 0.113233 O\n0.395879 0.710969 0.432649 O\n0.615605 0.681548 0.273316 O\n0.591575 0.739458 0.599593 O\n0.113385 0.800187 0.936708 O\n0.122565 0.758586 0.277028 O\n0.882501 0.787295 0.782481 O\n0.894046 0.740375 0.112177 O\n0.888133 0.758181 0.449325 O\n0.110773 0.771089 0.615971 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"O"
],
"chemical_system": "O-Ti-Zr",
"density": 4.719458532579457,
"density_atomic": 0.0870649152682452,
"volume": 413.4845808909909,
"volume_molar": 6.916839856153204,
"formula_full": "Zr5 Ti7 O24",
"formula_reduced": "Zr5Ti7O24",
"formula_anonymous": "A5B7C24",
"energy": -346.06382271,
"energy_per_atom": -9.612883964166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.57582271,
"band_gap": 2.5005000000000006,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003811,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.389000Z",
"spacegroup": 3
},
{
"id": "mp-1216998",
"created_at": "2022-09-04T14:43:39.396912Z",
"structure_string": "Zr5 Ti5 Pb6\n1.0\n-0.001924 -0.003333 -5.780377\n-4.313922 -7.471932 -0.005616\n-4.221682 7.418677 0.002808\nZr Ti Pb\n5 5 6\ndirect\n0.750199 0.761522 0.763176 Zr\n0.750199 0.998347 0.236824 Zr\n0.249851 0.757365 0.000000 Zr\n0.249790 0.233852 0.234697 Zr\n0.249790 0.999155 0.765303 Zr\n0.499928 0.333460 0.664280 Ti\n0.499928 0.669180 0.335720 Ti\n0.000134 0.669288 0.335767 Ti\n0.000134 0.333521 0.664233 Ti\n0.750212 0.249779 0.000000 Ti\n0.750059 0.594999 0.000000 Pb\n0.749966 0.395884 0.388917 Pb\n0.749966 0.006967 0.611083 Pb\n0.249867 0.397563 0.000000 Pb\n0.249989 0.598771 0.598425 Pb\n0.249989 0.000346 0.401575 Pb\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Ti",
"Pb"
],
"chemical_system": "Pb-Ti-Zr",
"density": 8.763825337401585,
"density_atomic": 0.04355761271283477,
"volume": 367.329589559563,
"volume_molar": 13.825690585254469,
"formula_full": "Zr5 Ti5 Pb6",
"formula_reduced": "Zr5Ti5Pb6",
"formula_anonymous": "A5B5C6",
"energy": -106.91529224,
"energy_per_atom": -6.682205765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.91529224,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2590535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.989000Z",
"spacegroup": 38
},
{
"id": "mp-1215367",
"created_at": "2022-09-04T14:44:26.223490Z",
"structure_string": "Zr5 Te4 P2\n1.0\n21.073862 -1.913603 0.000000\n21.073862 1.913603 0.000000\n20.900098 0.000000 3.309899\nZr Te P\n5 4 2\ndirect\n0.562993 0.562993 0.562993 Zr\n0.059412 0.059412 0.059412 Zr\n0.437007 0.437007 0.437007 Zr\n0.940588 0.940588 0.940588 Zr\n0.500000 0.500000 0.500000 Zr\n0.863727 0.863727 0.863727 Te\n0.362144 0.362144 0.362144 Te\n0.136273 0.136273 0.136273 Te\n0.637856 0.637856 0.637856 Te\n0.748467 0.748467 0.748467 P\n0.251533 0.251533 0.251533 P\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Zr",
"Te",
"P"
],
"chemical_system": "P-Te-Zr",
"density": 6.397333147951356,
"density_atomic": 0.04120519491559528,
"volume": 266.95663065136324,
"volume_molar": 14.615003696343999,
"formula_full": "Zr5 Te4 P2",
"formula_reduced": "Zr5(Te2P)2",
"formula_anonymous": "A2B4C5",
"energy": -79.85794067,
"energy_per_atom": -7.259812788181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.16994067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050576,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.960000Z",
"spacegroup": 166
},
{
"id": "mp-350",
"created_at": "2022-09-04T14:40:13.242585Z",
"structure_string": "Zr5 Te4\n1.0\n-5.443552 5.443552 1.933712\n5.443552 -5.443552 1.933712\n5.443552 5.443552 -1.933712\nZr Te\n5 4\ndirect\n0.000000 0.000000 0.000000 Zr\n0.629868 0.309448 0.939316 Zr\n0.370132 0.690552 0.060684 Zr\n0.309448 0.370132 0.679580 Zr\n0.690552 0.629868 0.320420 Zr\n0.719194 0.053632 0.772826 Te\n0.280806 0.946368 0.227174 Te\n0.053632 0.280806 0.334437 Te\n0.946368 0.719194 0.665563 Te\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Zr",
"Te"
],
"chemical_system": "Te-Zr",
"density": 7.00234343450799,
"density_atomic": 0.039266841911535746,
"volume": 229.20101444053222,
"volume_molar": 15.336453014396419,
"formula_full": "Zr5 Te4",
"formula_reduced": "Zr5Te4",
"formula_anonymous": "A4B5",
"energy": -64.71474889,
"energy_per_atom": -7.190527654444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.02674889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001461,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.236000Z",
"spacegroup": 87
},
{
"id": "mp-1094237",
"created_at": "2022-09-04T14:39:25.435134Z",
"structure_string": "Zr5 Sn5\n1.0\n2.794028 -7.650655 0.000000\n2.794028 7.650655 0.000000\n0.000000 0.000000 5.464419\nZr Sn\n5 5\ndirect\n0.016826 0.213013 0.000000 Zr\n0.249390 0.249390 0.500000 Zr\n0.843512 0.640149 0.500000 Zr\n0.640149 0.843512 0.500000 Zr\n0.213013 0.016826 0.000000 Zr\n0.857573 0.457543 0.000000 Sn\n0.032662 0.423209 0.500000 Sn\n0.599115 0.599115 0.000000 Sn\n0.457543 0.857573 0.000000 Sn\n0.423209 0.032662 0.500000 Sn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.461025457973194,
"density_atomic": 0.042805210720879276,
"volume": 233.61641799189317,
"volume_molar": 14.068709529941772,
"formula_full": "Zr5 Sn5",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -65.16780293,
"energy_per_atom": -6.516780292999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.16780293,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2340964,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.832000Z",
"spacegroup": 38
},
{
"id": "mp-1094544",
"created_at": "2022-09-04T14:48:22.331506Z",
"structure_string": "Zr5 Sn5\n1.0\n2.760851 -7.797761 0.000000\n2.760851 7.797761 0.000000\n0.000000 0.000000 5.456926\nZr Sn\n5 5\ndirect\n0.059899 0.445411 0.000000 Zr\n0.989767 0.600560 0.500000 Zr\n0.871736 0.871736 0.500000 Zr\n0.445411 0.059899 0.000000 Zr\n0.600560 0.989767 0.500000 Zr\n0.211853 0.432945 0.500000 Sn\n0.856206 0.638545 0.000000 Sn\n0.638545 0.856206 0.000000 Sn\n0.226412 0.226412 0.000000 Sn\n0.432945 0.211853 0.500000 Sn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 7.418411730366392,
"density_atomic": 0.04256072829683634,
"volume": 234.9583853512988,
"volume_molar": 14.149524693278435,
"formula_full": "Zr5 Sn5",
"formula_reduced": "ZrSn",
"formula_anonymous": "AB",
"energy": -65.99054403,
"energy_per_atom": -6.599054402999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.99054403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:29.464000Z",
"spacegroup": 38
},
{
"id": "mp-1094254",
"created_at": "2022-09-04T14:46:34.999205Z",
"structure_string": "Zr5 Sn1\n1.0\n2.783251 -4.820732 0.000000\n2.783251 4.820732 0.000000\n0.000000 0.000000 5.147051\nZr Sn\n5 1\ndirect\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.000000 0.323061 0.500000 Zr\n0.676939 0.676939 0.500000 Zr\n0.323061 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Sn"
],
"chemical_system": "Sn-Zr",
"density": 6.91090135192615,
"density_atomic": 0.04344076064313555,
"volume": 138.1191284676115,
"volume_molar": 13.86288055467466,
"formula_full": "Zr5 Sn1",
"formula_reduced": "Zr5Sn",
"formula_anonymous": "AB5",
"energy": -47.85636321,
"energy_per_atom": -7.976060534999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.85636321,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.084000Z",
"spacegroup": 189
},
{
"id": "mp-1215348",
"created_at": "2022-09-04T14:46:58.012814Z",
"structure_string": "Zr5 Si3\n1.0\n3.723335 0.000000 0.000000\n0.000000 6.461146 0.000000\n0.000000 0.300303 7.150323\nZr Si\n5 3\ndirect\n0.500000 0.292009 0.837680 Zr\n0.500000 0.689667 0.139045 Zr\n0.500000 0.836557 0.708973 Zr\n0.500000 0.147542 0.332394 Zr\n0.000000 0.543743 0.484358 Zr\n0.000000 0.131365 0.605799 Si\n0.000000 0.369161 0.133500 Si\n0.000000 0.599956 0.868253 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Si"
],
"chemical_system": "Si-Zr",
"density": 5.216488129778483,
"density_atomic": 0.046507464038501055,
"volume": 172.01539936422304,
"volume_molar": 12.948761848237071,
"formula_full": "Zr5 Si3",
"formula_reduced": "Zr5Si3",
"formula_anonymous": "A3B5",
"energy": -62.16846163,
"energy_per_atom": -7.77105770375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.38146163,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005483,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.845000Z",
"spacegroup": 6
},
{
"id": "mp-1215925",
"created_at": "2022-09-04T14:39:46.209433Z",
"structure_string": "Zr5 Se8\n1.0\n-2.054689 -3.561782 0.022527\n2.266410 -3.596510 -14.503422\n6.154150 -3.556234 -0.093778\nZr Se\n5 8\ndirect\n0.780001 0.437932 0.462674 Zr\n0.955474 0.092487 0.607375 Zr\n0.453082 0.094346 0.123998 Zr\n0.199935 0.604963 0.513972 Zr\n0.702536 0.603057 0.046372 Zr\n0.251804 0.498813 0.231198 Se\n0.739201 0.520308 0.746788 Se\n0.495093 0.007854 0.505231 Se\n0.989605 0.017529 0.983020 Se\n0.370641 0.257840 0.038648 Se\n0.866276 0.262259 0.537612 Se\n0.614518 0.766695 0.955480 Se\n0.115283 0.768916 0.447784 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 4.272777708014747,
"density_atomic": 0.030750734917789402,
"volume": 422.7541239178468,
"volume_molar": 19.58372954695197,
"formula_full": "Zr5 Se8",
"formula_reduced": "Zr5Se8",
"formula_anonymous": "A5B8",
"energy": -83.92146893,
"energy_per_atom": -6.45549761,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.14546893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.4834453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.593000Z",
"spacegroup": 8
},
{
"id": "mp-1215359",
"created_at": "2022-09-04T14:39:10.393111Z",
"structure_string": "Zr5 Se8\n1.0\n-1.917590 -3.321363 0.000000\n1.917590 -3.321363 0.000000\n1.917590 1.107121 25.777028\nZr Se\n5 8\ndirect\n0.750019 0.124991 0.625028 Zr\n0.249038 0.375481 0.873557 Zr\n0.750962 0.624519 0.126443 Zr\n0.249981 0.875009 0.374972 Zr\n0.000000 0.000000 0.000000 Zr\n0.375818 0.812091 0.563727 Se\n0.875377 0.062312 0.813065 Se\n0.374973 0.312514 0.062459 Se\n0.875683 0.562159 0.313524 Se\n0.124317 0.437841 0.686476 Se\n0.625027 0.687486 0.937541 Se\n0.124623 0.937688 0.186935 Se\n0.624182 0.187909 0.436273 Se\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Zr",
"Se"
],
"chemical_system": "Se-Zr",
"density": 5.501273204503962,
"density_atomic": 0.039592088702559605,
"volume": 328.34842580961276,
"volume_molar": 15.21046491192235,
"formula_full": "Zr5 Se8",
"formula_reduced": "Zr5Se8",
"formula_anonymous": "A5B8",
"energy": -90.46694681,
"energy_per_atom": -6.958995908461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.69094681,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.072137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.129000Z",
"spacegroup": 166
},
{
"id": "mp-1215392",
"created_at": "2022-09-04T14:41:27.949004Z",
"structure_string": "Zr5 Sc5 Ga6\n1.0\n4.050319 -6.972803 0.000000\n4.050319 6.972803 0.000000\n0.000000 0.000000 5.859413\nZr Sc Ga\n5 5 6\ndirect\n0.999819 0.762014 0.000000 Zr\n0.762014 0.999819 0.000000 Zr\n0.761663 0.761663 0.500000 Zr\n0.999046 0.234637 0.500000 Zr\n0.234637 0.999046 0.500000 Zr\n0.667405 0.333242 0.249849 Sc\n0.333242 0.667405 0.249849 Sc\n0.333242 0.667405 0.750151 Sc\n0.667405 0.333242 0.750151 Sc\n0.239009 0.239009 0.000000 Sc\n0.605207 0.605207 0.000000 Ga\n0.998355 0.397111 0.000000 Ga\n0.397111 0.998355 0.000000 Ga\n0.399261 0.399261 0.500000 Ga\n0.000646 0.601947 0.500000 Ga\n0.601947 0.000646 0.500000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zr",
"Sc",
"Ga"
],
"chemical_system": "Ga-Sc-Zr",
"density": 5.515182985823684,
"density_atomic": 0.0483436294069356,
"volume": 330.96398007933936,
"volume_molar": 12.45694796579761,
"formula_full": "Zr5 Sc5 Ga6",
"formula_reduced": "Zr5Sc5Ga6",
"formula_anonymous": "A5B5C6",
"energy": -100.74802075,
"energy_per_atom": -6.296751296875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.74802075,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0157962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.574000Z",
"spacegroup": 38
},
{
"id": "mp-1215375",
"created_at": "2022-09-04T14:41:17.713040Z",
"structure_string": "Zr5 S8\n1.0\n0.000000 5.295983 5.295983\n5.295983 0.000000 5.295983\n5.295983 5.295983 0.000000\nZr S\n5 8\ndirect\n0.077616 0.640795 0.640795 Zr\n0.640795 0.077616 0.640795 Zr\n0.640795 0.640795 0.077616 Zr\n0.640795 0.640795 0.640795 Zr\n0.250000 0.250000 0.250000 Zr\n0.847479 0.384174 0.384174 S\n0.384174 0.847479 0.384174 S\n0.384174 0.384174 0.847479 S\n0.384174 0.384174 0.384174 S\n0.362363 0.879212 0.879212 S\n0.879212 0.362363 0.879212 S\n0.879212 0.879212 0.362363 S\n0.879212 0.879212 0.879212 S\n",
"nsites": 13,
"nelements": 2,
"elements": [
"Zr",
"S"
],
"chemical_system": "S-Zr",
"density": 3.983359927701746,
"density_atomic": 0.04375962680715251,
"volume": 297.0774878243512,
"volume_molar": 13.761864986964838,
"formula_full": "Zr5 S8",
"formula_reduced": "Zr5S8",
"formula_anonymous": "A5B8",
"energy": -98.74775671,
"energy_per_atom": -7.595981285384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.72375671,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.227895,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.739000Z",
"spacegroup": 216
}
]
}