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=energy_per_atom&page=1745",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=1743",
"results": [
{
"id": "mp-1105765",
"created_at": "2022-09-04T14:46:56.667781Z",
"structure_string": "Na4 Nb4 O12\n1.0\n5.562819 0.000000 0.000000\n0.000000 5.611539 0.000000\n0.000000 0.000000 7.909480\nNa Nb O\n4 4 12\ndirect\n0.499184 0.984429 0.250000 Na\n0.000816 0.484429 0.250000 Na\n0.500816 0.015571 0.750000 Na\n0.999184 0.515571 0.750000 Na\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Nb\n0.936338 0.011368 0.250000 O\n0.563662 0.511368 0.250000 O\n0.063662 0.988632 0.750000 O\n0.436338 0.488632 0.750000 O\n0.213589 0.714785 0.032574 O\n0.286411 0.214785 0.467426 O\n0.786411 0.285215 0.532574 O\n0.713589 0.785215 0.967426 O\n0.786411 0.285215 0.967426 O\n0.713589 0.785215 0.532574 O\n0.213589 0.714785 0.467426 O\n0.286411 0.214785 0.032574 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Nb",
"O"
],
"chemical_system": "Na-Nb-O",
"density": 4.409082467416359,
"density_atomic": 0.08100375445233675,
"volume": 246.90213602096873,
"volume_molar": 7.4343970853147,
"formula_full": "Na4 Nb4 O12",
"formula_reduced": "NaNbO3",
"formula_anonymous": "ABC3",
"energy": -161.5397274,
"energy_per_atom": -8.07698637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -153.2957274,
"band_gap": 1.865,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002109,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:45.082000Z",
"spacegroup": 62
},
{
"id": "mp-26104",
"created_at": "2022-09-04T14:47:27.362258Z",
"structure_string": "V4 P6 O24\n1.0\n8.364836 0.000000 0.000000\n-4.136835 7.271646 0.000000\n-4.075455 -2.393151 7.310308\nV P O\n4 6 24\ndirect\n0.218221 0.863090 0.081117 V\n0.209723 0.360329 0.566279 V\n0.790277 0.639671 0.433721 V\n0.781779 0.136910 0.918883 V\n0.992850 0.968409 0.245284 P\n0.007150 0.031591 0.754716 P\n0.717275 0.246821 0.255719 P\n0.282725 0.753179 0.744281 P\n0.276563 0.529157 0.251727 P\n0.723437 0.470843 0.748273 P\n0.138841 0.017197 0.945184 O\n0.233837 0.522618 0.405670 O\n0.861159 0.982803 0.054816 O\n0.494880 0.089817 0.230397 O\n0.867732 0.098200 0.767350 O\n0.738357 0.441449 0.269014 O\n0.155888 0.169536 0.389558 O\n0.766163 0.477382 0.594330 O\n0.709206 0.187224 0.082855 O\n0.261643 0.558551 0.730986 O\n0.104903 0.750326 0.571422 O\n0.312325 0.721664 0.210467 O\n0.476154 0.528551 0.298242 O\n0.166145 0.178978 0.708697 O\n0.132268 0.901800 0.232650 O\n0.687675 0.278336 0.789533 O\n0.505120 0.910183 0.769603 O\n0.071709 0.360201 0.074983 O\n0.895097 0.249674 0.428578 O\n0.290794 0.812776 0.917145 O\n0.844112 0.830464 0.610442 O\n0.833855 0.821022 0.291303 O\n0.928291 0.639799 0.925017 O\n0.523846 0.471449 0.701758 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"V",
"P",
"O"
],
"chemical_system": "O-P-V",
"density": 2.8889262334427737,
"density_atomic": 0.0764633080234841,
"volume": 444.6577172616913,
"volume_molar": 7.875856951088784,
"formula_full": "V4 P6 O24",
"formula_reduced": "V2(PO4)3",
"formula_anonymous": "A2B3C12",
"energy": -274.61690954,
"energy_per_atom": -8.07696792764706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -251.32890954,
"band_gap": 1.077,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9995714,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:13.623000Z",
"spacegroup": 2
},
{
"id": "mp-756668",
"created_at": "2022-09-04T14:46:17.124109Z",
"structure_string": "Mn2 P2 O8\n1.0\n5.246300 0.172653 0.370779\n2.972868 7.295195 4.591265\n2.710447 -1.282246 4.324299\nMn P O\n2 2 8\ndirect\n0.210172 0.257573 0.277826 Mn\n0.777810 0.757570 0.710179 Mn\n0.152266 0.626111 0.099479 P\n0.599486 0.126109 0.652266 P\n0.026188 0.766722 0.265244 O\n0.199178 0.458551 0.323446 O\n0.298792 0.152801 0.972670 O\n0.508657 0.121292 0.422445 O\n0.472668 0.652795 0.798790 O\n0.765248 0.266719 0.526188 O\n0.922448 0.621294 0.008652 O\n0.823447 0.958548 0.699177 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.654228443606972,
"density_atomic": 0.06397518723606457,
"volume": 187.5727218385579,
"volume_molar": 9.413244447067681,
"formula_full": "Mn2 P2 O8",
"formula_reduced": "MnPO4",
"formula_anonymous": "ABC4",
"energy": -96.92329952,
"energy_per_atom": -8.076941626666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.09129952,
"band_gap": 0.8814,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.591000Z",
"spacegroup": 9
},
{
"id": "mp-1214557",
"created_at": "2022-09-04T14:42:13.116253Z",
"structure_string": "Ca8 Si12 W6 O38\n1.0\n0.000000 5.580509 22.910255\n3.734275 0.000000 22.910255\n3.734275 5.580509 0.000000\nCa Si W O\n8 12 6 38\ndirect\n0.967723 0.324337 0.164914 Ca\n0.164914 0.543026 0.967723 Ca\n0.925663 0.282277 0.706974 Ca\n0.706974 0.085086 0.925663 Ca\n0.416124 0.792442 0.206523 Ca\n0.206523 0.584911 0.416124 Ca\n0.457558 0.833876 0.665089 Ca\n0.665089 0.043477 0.457558 Ca\n0.438551 0.719089 0.693246 Si\n0.693246 0.149115 0.438551 Si\n0.530911 0.811449 0.100885 Si\n0.100885 0.556754 0.530911 Si\n0.854007 0.304726 0.266831 Si\n0.266831 0.574435 0.854007 Si\n0.945274 0.395993 0.675565 Si\n0.675565 0.983169 0.945274 Si\n0.230489 0.203568 0.271172 Si\n0.271172 0.294772 0.230489 Si\n0.046432 0.019511 0.955228 Si\n0.955228 0.978828 0.046432 Si\n0.454410 0.545590 0.454410 W\n0.704410 0.795590 0.704410 W\n0.955710 0.075946 0.511805 W\n0.511805 0.456539 0.955710 W\n0.174054 0.294290 0.793461 W\n0.793461 0.738195 0.174054 W\n0.035263 0.159920 0.328187 O\n0.328187 0.476630 0.035263 O\n0.090080 0.214737 0.773370 O\n0.773370 0.921813 0.090080 O\n0.287982 0.770524 0.400931 O\n0.400931 0.540563 0.287982 O\n0.479476 0.962018 0.709437 O\n0.709437 0.849069 0.479476 O\n0.925704 0.171009 0.174165 O\n0.174165 0.729121 0.925704 O\n0.078991 0.324296 0.520879 O\n0.520879 0.075835 0.078991 O\n0.846797 0.452799 0.544279 O\n0.544279 0.156125 0.846797 O\n0.797201 0.403203 0.093875 O\n0.093875 0.705721 0.797201 O\n0.590995 0.712181 0.277467 O\n0.277467 0.419356 0.590995 O\n0.537819 0.659005 0.830644 O\n0.830644 0.972533 0.537819 O\n0.454643 0.949921 0.185242 O\n0.185242 0.410194 0.454643 O\n0.300079 0.795357 0.839806 O\n0.839806 0.064758 0.300079 O\n0.092712 0.340065 0.121946 O\n0.121946 0.445277 0.092712 O\n0.909935 0.157288 0.804723 O\n0.804723 0.128054 0.909935 O\n0.491066 0.373743 0.636673 O\n0.636673 0.498519 0.491066 O\n0.876257 0.758934 0.751481 O\n0.751481 0.613327 0.876257 O\n0.064413 0.935587 0.064413 O\n0.314413 0.185587 0.314413 O\n0.351088 0.951283 0.045943 O\n0.045943 0.651686 0.351088 O\n0.298717 0.898912 0.598314 O\n0.598314 0.204057 0.298717 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Ca",
"Si",
"W",
"O"
],
"chemical_system": "Ca-O-Si-W",
"density": 4.119202239102823,
"density_atomic": 0.06702548190504957,
"volume": 954.86072133975,
"volume_molar": 8.984852609536109,
"formula_full": "Ca8 Si12 W6 O38",
"formula_reduced": "Ca4Si6W3O19",
"formula_anonymous": "A3B4C6D19",
"energy": -516.92354671,
"energy_per_atom": -8.07693041734375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -464.18954671,
"band_gap": 0.0322,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9997874,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:41.248000Z",
"spacegroup": 43
},
{
"id": "mp-1044931",
"created_at": "2022-09-04T14:46:01.450404Z",
"structure_string": "La2 V2 Zn2 Cr2 O12\n1.0\n5.448746 0.000000 0.000000\n0.000000 5.355642 0.000000\n0.000000 5.372377 7.771050\nLa V Zn Cr O\n2 2 2 2 12\ndirect\n0.212877 0.744728 0.248887 La\n0.787123 0.744728 0.748887 La\n0.264560 0.502537 0.999760 V\n0.735440 0.502537 0.499760 V\n0.733964 0.256155 0.251820 Zn\n0.266036 0.256155 0.751820 Zn\n0.252029 0.001379 0.498485 Cr\n0.747971 0.001379 0.998485 Cr\n0.706901 0.174889 0.748871 O\n0.468323 0.729138 0.052733 O\n0.475883 0.335728 0.454264 O\n0.954126 0.629388 0.053567 O\n0.943415 0.251515 0.439394 O\n0.229467 0.874543 0.752219 O\n0.293099 0.174889 0.248871 O\n0.531677 0.729138 0.552733 O\n0.524117 0.335728 0.954264 O\n0.045874 0.629388 0.553567 O\n0.056585 0.251515 0.939394 O\n0.770533 0.874543 0.252219 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"V",
"Zn",
"Cr",
"O"
],
"chemical_system": "Cr-La-O-V-Zn",
"density": 5.905599841431266,
"density_atomic": 0.08819463972082284,
"volume": 226.7711514362928,
"volume_molar": 6.828238971283157,
"formula_full": "La2 V2 Zn2 Cr2 O12",
"formula_reduced": "LaVZnCrO6",
"formula_anonymous": "ABCDE6",
"energy": -161.53819671000002,
"energy_per_atom": -8.0769098355,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.89619671,
"band_gap": 1.3988000000000005,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002111,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.305000Z",
"spacegroup": 7
},
{
"id": "mp-778229",
"created_at": "2022-09-04T14:48:15.780815Z",
"structure_string": "Li9 Cr3 W7 O28\n1.0\n6.030179 -5.990502 0.000000\n6.030179 5.990502 0.000000\n0.079093 0.000000 8.499584\nLi Cr W O\n9 3 7 28\ndirect\n0.907488 0.348848 0.644548 Li\n0.907488 0.644548 0.348848 Li\n0.644548 0.348848 0.907488 Li\n0.644548 0.907488 0.348848 Li\n0.358536 0.093297 0.358536 Li\n0.358536 0.358536 0.093297 Li\n0.348848 0.644548 0.907488 Li\n0.348848 0.907488 0.644548 Li\n0.093297 0.358536 0.358536 Li\n0.625502 0.105856 0.625502 Cr\n0.625502 0.625502 0.105856 Cr\n0.105856 0.625502 0.625502 Cr\n0.648166 0.361568 0.361568 W\n0.642604 0.642604 0.642604 W\n0.361568 0.361568 0.648166 W\n0.361568 0.648166 0.361568 W\n0.998260 0.998260 0.499060 W\n0.998260 0.499060 0.998260 W\n0.499060 0.998260 0.998260 W\n0.859173 0.384296 0.384296 O\n0.856905 0.619702 0.619702 O\n0.866318 0.117526 0.622359 O\n0.866318 0.622359 0.117526 O\n0.879761 0.373479 0.879761 O\n0.879761 0.879761 0.373479 O\n0.622359 0.117526 0.866318 O\n0.622359 0.866318 0.117526 O\n0.618031 0.386077 0.618031 O\n0.618031 0.618031 0.386077 O\n0.619273 0.136038 0.392690 O\n0.619273 0.392690 0.136038 O\n0.619702 0.619702 0.856905 O\n0.619702 0.856905 0.619702 O\n0.392690 0.136038 0.619273 O\n0.392690 0.619273 0.136038 O\n0.384296 0.384296 0.859173 O\n0.384296 0.859173 0.384296 O\n0.399962 0.399962 0.399962 O\n0.386077 0.618031 0.618031 O\n0.385031 0.124452 0.124452 O\n0.373479 0.879761 0.879761 O\n0.124452 0.124452 0.385031 O\n0.124452 0.385031 0.124452 O\n0.117526 0.622359 0.866318 O\n0.117526 0.866318 0.622359 O\n0.136038 0.392690 0.619273 O\n0.136038 0.619273 0.392690 O\n",
"nsites": 47,
"nelements": 4,
"elements": [
"Li",
"Cr",
"W",
"O"
],
"chemical_system": "Cr-Li-O-W",
"density": 5.2820379605990775,
"density_atomic": 0.0765379402479535,
"volume": 614.0745341165187,
"volume_molar": 7.868177194853399,
"formula_full": "Li9 Cr3 W7 O28",
"formula_reduced": "Li9Cr3(WO4)7",
"formula_anonymous": "A3B7C9D28",
"energy": -379.61378204,
"energy_per_atom": -8.076888979574468,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -323.31478204,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.021957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:55.460000Z",
"spacegroup": 160
},
{
"id": "mp-541912",
"created_at": "2022-09-04T14:41:12.415057Z",
"structure_string": "Zr2 Br2 N2\n1.0\n10.253836 -1.844568 0.000000\n10.253836 1.844568 0.000000\n9.922016 0.000000 3.177607\nZr Br N\n2 2 2\ndirect\n0.875928 0.875928 0.875928 Zr\n0.124072 0.124072 0.124072 Zr\n0.607684 0.607684 0.607684 Br\n0.392316 0.392316 0.392316 Br\n0.804865 0.804865 0.804865 N\n0.195135 0.195135 0.195135 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Br",
"N"
],
"chemical_system": "Br-N-Zr",
"density": 5.115118548722554,
"density_atomic": 0.049916029650529055,
"volume": 120.20186785702029,
"volume_molar": 12.064542797498262,
"formula_full": "Zr2 Br2 N2",
"formula_reduced": "ZrBrN",
"formula_anonymous": "ABC",
"energy": -48.46095152000001,
"energy_per_atom": -8.076825253333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.67095152,
"band_gap": 2.3532,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001832,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:16.733000Z",
"spacegroup": 166
},
{
"id": "mp-752684",
"created_at": "2022-09-04T14:42:28.625904Z",
"structure_string": "Ba2 Tm4 O8\n1.0\n1.703796 -5.609603 0.000000\n1.703796 5.609603 0.000000\n0.000000 0.000000 11.399810\nBa Tm O\n2 4 8\ndirect\n0.889362 0.110638 0.250000 Ba\n0.110638 0.889362 0.750000 Ba\n0.635373 0.364627 0.429727 Tm\n0.635373 0.364627 0.070273 Tm\n0.364627 0.635373 0.570273 Tm\n0.364627 0.635373 0.929727 Tm\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.566723 0.433277 0.250000 O\n0.740015 0.259985 0.600642 O\n0.740015 0.259985 0.899358 O\n0.433277 0.566723 0.750000 O\n0.259985 0.740015 0.399358 O\n0.259985 0.740015 0.100642 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ba",
"Tm",
"O"
],
"chemical_system": "Ba-O-Tm",
"density": 8.21761943692677,
"density_atomic": 0.06424668235666472,
"volume": 217.91008479284827,
"volume_molar": 9.373465740329054,
"formula_full": "Ba2 Tm4 O8",
"formula_reduced": "BaTm2O4",
"formula_anonymous": "AB2C4",
"energy": -113.07391176,
"energy_per_atom": -8.076707982857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -107.57791176,
"band_gap": 2.8879,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.209000Z",
"spacegroup": 63
},
{
"id": "mp-1187168",
"created_at": "2022-09-04T14:42:26.993236Z",
"structure_string": "Sr1 Eu3\n1.0\n5.747866 0.000000 0.000000\n0.000000 5.747866 0.000000\n0.000000 0.000000 5.747866\nSr Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Eu"
],
"chemical_system": "Eu-Sr",
"density": 4.7526773293304,
"density_atomic": 0.021063963168415384,
"volume": 189.89778742102288,
"volume_molar": 28.58978014654893,
"formula_full": "Sr1 Eu3",
"formula_reduced": "SrEu3",
"formula_anonymous": "AB3",
"energy": -32.30646022,
"energy_per_atom": -8.076615055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.30646022,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.786825,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.774000Z",
"spacegroup": 221
},
{
"id": "mp-1217495",
"created_at": "2022-09-04T14:42:11.323826Z",
"structure_string": "Te2 Mo10 O32\n1.0\n0.005640 4.137682 0.000000\n0.000000 0.000000 7.387982\n20.550089 0.027967 0.000000\nTe Mo O\n2 10 32\ndirect\n0.024325 0.581473 0.746457 Te\n0.024325 0.418527 0.246457 Te\n0.912457 0.750826 0.585757 Mo\n0.914780 0.251225 0.413615 Mo\n0.914780 0.748775 0.913615 Mo\n0.912457 0.249174 0.085757 Mo\n0.081517 0.255830 0.592764 Mo\n0.082977 0.744989 0.407226 Mo\n0.082977 0.255011 0.907226 Mo\n0.081517 0.744170 0.092764 Mo\n0.901204 0.020867 0.750198 Mo\n0.901204 0.979133 0.250198 Mo\n0.985323 0.686019 0.500832 O\n0.984128 0.313398 0.499100 O\n0.984128 0.686602 0.999100 O\n0.985323 0.313981 0.000832 O\n0.500818 0.257905 0.590993 O\n0.502273 0.742907 0.408831 O\n0.502273 0.257093 0.908831 O\n0.500818 0.742095 0.090993 O\n0.985975 0.183386 0.683874 O\n0.985689 0.817199 0.316168 O\n0.985689 0.182801 0.816168 O\n0.985975 0.816615 0.183874 O\n0.993937 0.996037 0.574166 O\n0.995466 0.005136 0.424938 O\n0.995466 0.994864 0.924938 O\n0.993937 0.003963 0.074166 O\n0.481965 0.014033 0.750259 O\n0.481965 0.985967 0.250259 O\n0.999211 0.511433 0.622990 O\n0.001889 0.489880 0.378783 O\n0.001889 0.510120 0.878783 O\n0.999211 0.488567 0.122990 O\n0.492205 0.751984 0.589926 O\n0.494337 0.248867 0.409166 O\n0.494337 0.751133 0.909166 O\n0.492205 0.248015 0.089926 O\n0.982609 0.805917 0.688405 O\n0.985027 0.197689 0.309159 O\n0.985027 0.802311 0.809159 O\n0.982609 0.194083 0.188405 O\n0.474489 0.576365 0.742393 O\n0.474489 0.423635 0.242393 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Te",
"Mo",
"O"
],
"chemical_system": "Mo-O-Te",
"density": 4.5639425021669195,
"density_atomic": 0.07004172546318901,
"volume": 628.1969741468541,
"volume_molar": 8.597933189360083,
"formula_full": "Te2 Mo10 O32",
"formula_reduced": "TeMo5O16",
"formula_anonymous": "AB5C16",
"energy": -355.36928735000004,
"energy_per_atom": -8.076574712500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -301.36528735,
"band_gap": 0.8666,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0001503,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:38.032000Z",
"spacegroup": 7
},
{
"id": "mp-1297861",
"created_at": "2022-09-04T14:45:28.857220Z",
"structure_string": "Ba2 Y2 Mn2 Co2 O10\n1.0\n3.992544 3.915881 -0.000173\n-3.991287 3.914658 -0.001829\n0.000400 -0.001278 7.770618\nBa Y Mn Co O\n2 2 2 2 10\ndirect\n0.999874 0.002496 0.989946 Ba\n0.502809 0.499683 0.990690 Ba\n0.999160 0.001180 0.501191 Y\n0.501028 0.499141 0.501265 Y\n0.999971 0.500054 0.274424 Mn\n0.499552 0.999461 0.254609 Mn\n0.005937 0.505900 0.743498 Co\n0.499619 0.999593 0.737295 Co\n0.499202 0.999111 0.988423 O\n0.998352 0.498201 0.002222 O\n0.241113 0.257048 0.683660 O\n0.757164 0.741441 0.683562 O\n0.265485 0.765468 0.683577 O\n0.731462 0.231747 0.684134 O\n0.240246 0.259611 0.315263 O\n0.759431 0.740189 0.315197 O\n0.241412 0.741445 0.325479 O\n0.758183 0.258231 0.325561 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Ba",
"Y",
"Mn",
"Co",
"O"
],
"chemical_system": "Ba-Co-Mn-O-Y",
"density": 5.74386704674142,
"density_atomic": 0.07410439779325596,
"volume": 242.9005637454641,
"volume_molar": 8.126563253102987,
"formula_full": "Ba2 Y2 Mn2 Co2 O10",
"formula_reduced": "BaYMnCoO5",
"formula_anonymous": "ABCDE5",
"energy": -145.37821379,
"energy_per_atom": -8.076567432777777,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.89621379,
"band_gap": 0.2175000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0025622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.811000Z",
"spacegroup": 35
},
{
"id": "mp-725970",
"created_at": "2022-09-04T14:42:03.193375Z",
"structure_string": "Na2 Zr2 Si4 O14\n1.0\n5.463819 0.000000 0.000000\n0.192151 7.136378 0.000000\n0.313545 3.161720 8.030627\nNa Zr Si O\n2 2 4 14\ndirect\n0.768046 0.190120 0.429271 Na\n0.231954 0.809880 0.570729 Na\n0.237866 0.207046 0.736409 Zr\n0.762134 0.792954 0.263591 Zr\n0.287774 0.460392 0.295519 Si\n0.712226 0.539608 0.704481 Si\n0.255362 0.114443 0.174976 Si\n0.744638 0.885557 0.825024 Si\n0.981383 0.043013 0.254084 O\n0.018617 0.956987 0.745916 O\n0.179820 0.297901 0.472927 O\n0.820180 0.702099 0.527073 O\n0.435083 0.473629 0.685329 O\n0.564917 0.526371 0.314671 O\n0.280082 0.109701 0.988015 O\n0.719918 0.890299 0.011985 O\n0.909804 0.353952 0.758156 O\n0.090196 0.646048 0.241844 O\n0.541519 0.032099 0.698568 O\n0.458481 0.967901 0.301432 O\n0.300253 0.348475 0.159177 O\n0.699747 0.651525 0.840823 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Zr",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Zr",
"density": 2.9949549780391593,
"density_atomic": 0.07025853283679637,
"volume": 313.1292258992061,
"volume_molar": 8.571401247431167,
"formula_full": "Na2 Zr2 Si4 O14",
"formula_reduced": "NaZrSi2O7",
"formula_anonymous": "ABC2D7",
"energy": -177.68443109,
"energy_per_atom": -8.076565049545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.06643109,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999125,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.625000Z",
"spacegroup": 2
}
]
}