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_above_hull&page=11560",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=11558",
"results": [
{
"id": "mp-21140",
"created_at": "2022-09-04T14:47:19.097880Z",
"structure_string": "Ce1 Sb1\n1.0\n4.071871 0.000000 0.000000\n0.000000 4.071871 0.000000\n0.000000 0.000000 3.379251\nCe Sb\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ce",
"Sb"
],
"chemical_system": "Ce-Sb",
"density": 7.761333114786558,
"density_atomic": 0.035696161938204476,
"volume": 56.02843250941954,
"volume_molar": 16.870555356694226,
"formula_full": "Ce1 Sb1",
"formula_reduced": "CeSb",
"formula_anonymous": "AB",
"energy": -11.98321571,
"energy_per_atom": -5.991607855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.79121571,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0207072,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:00.372000Z",
"spacegroup": 123
},
{
"id": "mp-626528",
"created_at": "2022-09-04T14:47:19.055368Z",
"structure_string": "Nb4 H4 O12\n1.0\n6.756104 0.000000 0.000000\n-2.191316 6.427614 0.000000\n-2.237442 -3.190743 5.533055\nNb H O\n4 4 12\ndirect\n0.459113 0.968477 0.982904 Nb\n0.985120 0.968388 0.476419 Nb\n0.980014 0.455265 0.974962 Nb\n0.535844 0.529628 0.536448 Nb\n0.821698 0.262102 0.441405 H\n0.179501 0.629237 0.438193 H\n0.442547 0.182135 0.627179 H\n0.517135 0.398161 0.113548 H\n0.204309 0.904544 0.691639 O\n0.798249 0.115850 0.315424 O\n0.201873 0.518517 0.319645 O\n0.796852 0.494457 0.696531 O\n0.698383 0.218420 0.915121 O\n0.278468 0.792162 0.070860 O\n0.324453 0.209646 0.522832 O\n0.715775 0.785769 0.501219 O\n0.914076 0.723946 0.196113 O\n0.081646 0.279846 0.800851 O\n0.478479 0.300172 0.187551 O\n0.523495 0.727981 0.804699 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Nb",
"H",
"O"
],
"chemical_system": "H-Nb-O",
"density": 3.923003533907791,
"density_atomic": 0.08323747436566697,
"volume": 240.27639176242732,
"volume_molar": 7.234891262491209,
"formula_full": "Nb4 H4 O12",
"formula_reduced": "NbHO3",
"formula_anonymous": "ABC3",
"energy": -162.61869492,
"energy_per_atom": -8.130934746,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.37469492,
"band_gap": 2.531,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.56e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.356000Z",
"spacegroup": 1
},
{
"id": "mp-1214691",
"created_at": "2022-09-04T14:47:19.587218Z",
"structure_string": "Ba2 Ca1 Cu1 Hg2 O6\n1.0\n4.271992 0.000000 0.000000\n0.000000 4.271992 0.000000\n0.000000 0.000000 12.084524\nBa Ca Cu Hg O\n2 1 1 2 6\ndirect\n0.500000 0.500000 0.196690 Ba\n0.500000 0.500000 0.803310 Ba\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.361375 Hg\n0.000000 0.000000 0.638625 Hg\n0.000000 0.500000 0.371644 O\n0.000000 0.500000 0.628356 O\n0.500000 0.000000 0.371644 O\n0.500000 0.000000 0.628356 O\n0.000000 0.000000 0.149178 O\n0.000000 0.000000 0.850822 O\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Ba",
"Ca",
"Cu",
"Hg",
"O"
],
"chemical_system": "Ba-Ca-Cu-Hg-O",
"density": 6.591620826567135,
"density_atomic": 0.05441151722056954,
"volume": 220.54154364700497,
"volume_molar": 11.06776849391623,
"formula_full": "Ba2 Ca1 Cu1 Hg2 O6",
"formula_reduced": "Ba2CaCu(HgO3)2",
"formula_anonymous": "ABC2D2E6",
"energy": -61.22527044,
"energy_per_atom": -5.10210587,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -57.10327044,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009783,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.520000Z",
"spacegroup": 123
},
{
"id": "mp-850899",
"created_at": "2022-09-04T14:47:19.737333Z",
"structure_string": "Mn6 O2 F16\n1.0\n5.155253 0.010328 -0.074179\n2.586407 4.484791 -0.102201\n-0.197398 0.420675 13.419092\nMn O F\n6 2 16\ndirect\n0.008343 0.966759 0.005638 Mn\n0.006697 0.025533 0.505022 Mn\n0.326851 0.318738 0.661218 Mn\n0.330906 0.351826 0.161588 Mn\n0.670609 0.642974 0.833333 Mn\n0.673191 0.684398 0.333279 Mn\n0.039523 0.290796 0.583302 O\n0.041680 0.670575 0.085278 O\n0.020093 0.400090 0.248142 F\n0.264734 0.050025 0.081074 F\n0.407793 0.963043 0.752579 F\n0.262295 0.691232 0.580846 F\n0.605680 0.021267 0.250328 F\n0.670586 0.064510 0.578534 F\n0.321277 0.724119 0.924239 F\n0.411961 0.626533 0.251443 F\n0.598349 0.375397 0.750871 F\n0.670255 0.267633 0.078699 F\n0.319308 0.953911 0.423706 F\n0.733168 0.341800 0.415793 F\n0.934668 0.315325 0.915922 F\n0.734371 0.921964 0.915798 F\n0.011938 0.582922 0.746495 F\n0.935723 0.748628 0.416873 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.5656965992778877,
"density_atomic": 0.07742696307668982,
"volume": 309.96953834064874,
"volume_molar": 7.7778341299983484,
"formula_full": "Mn6 O2 F16",
"formula_reduced": "Mn3OF8",
"formula_anonymous": "AB3C8",
"energy": -156.53955671,
"energy_per_atom": -6.522481529583334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.76555671,
"band_gap": 0.4521,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 22.0035494,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.932000Z",
"spacegroup": 9
},
{
"id": "mp-1215308",
"created_at": "2022-09-04T14:47:19.806464Z",
"structure_string": "Zr1 Al1 Ni2\n1.0\n2.888908 0.000000 0.000000\n0.000000 2.888908 0.000000\n0.000000 0.000000 6.702141\nZr Al Ni\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Zr\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.210853 Ni\n0.500000 0.500000 0.789147 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Ni"
],
"chemical_system": "Al-Ni-Zr",
"density": 6.994058769526985,
"density_atomic": 0.0715120137754079,
"volume": 55.9346575326837,
"volume_molar": 8.421159525605388,
"formula_full": "Zr1 Al1 Ni2",
"formula_reduced": "ZrAlNi2",
"formula_anonymous": "ABC2",
"energy": -25.81419623,
"energy_per_atom": -6.4535490575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.81419623,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0245869,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.664000Z",
"spacegroup": 123
},
{
"id": "mp-763903",
"created_at": "2022-09-04T14:47:19.824037Z",
"structure_string": "V6 O2 F22\n1.0\n5.274723 0.000000 0.000000\n0.000000 5.422713 0.000000\n0.000000 2.654070 14.699736\nV O F\n6 2 22\ndirect\n0.037807 0.220232 0.004055 V\n0.500772 0.084020 0.333556 V\n0.000772 0.915980 0.666444 V\n0.537807 0.779768 0.995945 V\n0.000491 0.584099 0.333735 V\n0.500491 0.415901 0.666265 V\n0.726013 0.030142 0.980782 O\n0.226013 0.969858 0.019218 O\n0.807958 0.232747 0.641245 F\n0.308053 0.098983 0.691262 F\n0.911891 0.213888 0.114796 F\n0.589198 0.046181 0.449094 F\n0.912516 0.880466 0.782354 F\n0.412516 0.119534 0.217646 F\n0.089198 0.953819 0.550906 F\n0.411891 0.786112 0.885204 F\n0.808053 0.901017 0.308738 F\n0.692831 0.732003 0.642026 F\n0.766718 0.540386 0.977853 F\n0.307958 0.767253 0.358755 F\n0.192795 0.599584 0.691327 F\n0.555952 0.682908 0.115572 F\n0.910538 0.546851 0.449112 F\n0.586468 0.374412 0.782434 F\n0.086468 0.625588 0.217566 F\n0.410538 0.453149 0.550888 F\n0.055952 0.317092 0.884428 F\n0.692795 0.400416 0.308673 F\n0.266718 0.459614 0.022147 F\n0.192831 0.267997 0.357974 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 2.9841628296163454,
"density_atomic": 0.0713502406229103,
"volume": 420.4610907838636,
"volume_molar": 8.440252909345217,
"formula_full": "V6 O2 F22",
"formula_reduced": "V3OF11",
"formula_anonymous": "AB3C11",
"energy": -193.37608752,
"energy_per_atom": -6.4458695839999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.63808752,
"band_gap": 1.9343,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0009385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.598000Z",
"spacegroup": 4
},
{
"id": "mp-1176203",
"created_at": "2022-09-04T14:47:19.829908Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n3.019464 0.000000 0.000000\n-0.519984 9.962464 0.000000\n-0.825141 -4.552669 9.668828\nLi Mn Co O\n9 2 5 16\ndirect\n0.129604 0.939647 0.256113 Li\n0.867746 0.059510 0.746850 Li\n0.631714 0.193218 0.255844 Li\n0.623393 0.690596 0.253653 Li\n0.372454 0.810744 0.747235 Li\n0.129400 0.436074 0.250255 Li\n0.876008 0.561757 0.748656 Li\n0.372584 0.306731 0.740888 Li\n0.750206 0.124738 0.499560 Li\n0.000237 0.999971 0.000681 Mn\n0.999592 0.499903 0.999252 Mn\n0.499962 0.249727 0.999264 Co\n0.250618 0.366874 0.502051 Co\n0.750135 0.624809 0.499615 Co\n0.501399 0.750450 0.000972 Co\n0.249725 0.883561 0.498677 Co\n0.584000 0.961182 0.117165 O\n0.310491 0.070673 0.615003 O\n0.086546 0.214296 0.113436 O\n0.085954 0.713590 0.113594 O\n0.836254 0.832951 0.614502 O\n0.584607 0.460081 0.115518 O\n0.293734 0.579352 0.609796 O\n0.822677 0.345984 0.615476 O\n0.677763 0.904120 0.385526 O\n0.417498 0.039543 0.885609 O\n0.187198 0.179775 0.384410 O\n0.204587 0.671133 0.389525 O\n0.910494 0.786546 0.885337 O\n0.664337 0.416773 0.386152 O\n0.418292 0.540277 0.885551 O\n0.910791 0.285414 0.883833 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.127792133771361,
"density_atomic": 0.11002199677670561,
"volume": 290.85092924595233,
"volume_molar": 5.4735788627997675,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.42321551,
"energy_per_atom": -6.4819754846875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.90521551,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000313,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.228000Z",
"spacegroup": 1
},
{
"id": "mp-1047694",
"created_at": "2022-09-04T14:47:19.833472Z",
"structure_string": "Ca2 Co4 O8\n1.0\n1.558388 -4.948427 0.000000\n1.558388 4.948427 0.000000\n0.000000 0.000000 9.784814\nCa Co O\n2 4 8\ndirect\n0.607482 0.392518 0.750000 Ca\n0.392518 0.607482 0.250000 Ca\n0.135446 0.864554 0.067256 Co\n0.864554 0.135446 0.932744 Co\n0.135446 0.864554 0.432744 Co\n0.864554 0.135446 0.567256 Co\n0.772617 0.227383 0.392985 O\n0.227383 0.772617 0.607015 O\n0.227383 0.772617 0.892985 O\n0.772617 0.227383 0.107015 O\n0.067604 0.932396 0.250000 O\n0.932396 0.067604 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Co",
"O"
],
"chemical_system": "Ca-Co-O",
"density": 4.884197707278324,
"density_atomic": 0.09276896306167559,
"volume": 150.91254162981622,
"volume_molar": 6.491546915315094,
"formula_full": "Ca2 Co4 O8",
"formula_reduced": "Ca(CoO2)2",
"formula_anonymous": "AB2C4",
"energy": -97.1800342,
"energy_per_atom": -6.941431014285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.1320342,
"band_gap": 0.2939999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9983552,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.066000Z",
"spacegroup": 63
},
{
"id": "mp-1100754",
"created_at": "2022-09-04T14:47:19.833468Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.879987 0.000000 0.000000\n0.000000 9.779425 0.000000\n0.000000 1.643579 10.238111\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.996831 0.269814 Li\n0.500000 0.002367 0.729791 Li\n0.000000 0.748684 0.387056 Li\n0.000000 0.754062 0.858603 Li\n0.500000 0.498579 0.502913 Li\n0.500000 0.502700 0.994555 Li\n0.000000 0.243498 0.134299 Li\n0.000000 0.253188 0.623456 Li\n0.000000 0.997922 0.501210 Li\n0.000000 0.999658 0.001966 Mn\n0.000000 0.494540 0.249830 Mn\n0.500000 0.748043 0.127183 Co\n0.500000 0.767387 0.608164 Co\n0.000000 0.508217 0.746314 Co\n0.500000 0.228507 0.393852 Co\n0.500000 0.254740 0.872469 Co\n0.500000 0.109589 0.058372 O\n0.500000 0.136422 0.557214 O\n0.000000 0.876039 0.168515 O\n0.000000 0.868409 0.682839 O\n0.500000 0.604463 0.308720 O\n0.500000 0.620421 0.812224 O\n0.000000 0.364915 0.925676 O\n0.000000 0.373082 0.415016 O\n0.500000 0.864557 0.443689 O\n0.500000 0.892486 0.941956 O\n0.000000 0.631930 0.573182 O\n0.000000 0.620751 0.082930 O\n0.500000 0.383049 0.691512 O\n0.500000 0.389249 0.188119 O\n0.000000 0.133728 0.314743 O\n0.000000 0.131991 0.833818 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1635577533965815,
"density_atomic": 0.11097529208800021,
"volume": 288.3524737616813,
"volume_molar": 5.426559954647036,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.59864601,
"energy_per_atom": -6.4874576878125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.08064601,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.6089389,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.171000Z",
"spacegroup": 6
},
{
"id": "mp-541914",
"created_at": "2022-09-04T14:47:19.057141Z",
"structure_string": "Mn1 Hg1 C4 S4 N4\n1.0\n-5.711262 5.711262 2.301144\n5.711262 -5.711262 2.301144\n5.711262 5.711262 -2.301144\nMn Hg C S N\n1 1 4 4 4\ndirect\n0.250000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Hg\n0.810464 0.162398 0.193817 C\n0.837602 0.031419 0.648066 C\n0.383354 0.189536 0.351934 C\n0.968581 0.616646 0.806182 C\n0.590154 0.868755 0.034486 S\n0.131245 0.165730 0.721398 S\n0.444332 0.409846 0.278602 S\n0.834270 0.555668 0.965514 S\n0.963037 0.371961 0.308668 N\n0.628039 0.936706 0.591076 N\n0.345630 0.036963 0.408924 N\n0.063294 0.654370 0.691332 N\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Mn",
"Hg",
"C",
"S",
"N"
],
"chemical_system": "C-Hg-Mn-N-S",
"density": 2.698200742158603,
"density_atomic": 0.04662942720326378,
"volume": 300.2395877387077,
"volume_molar": 12.914893279191913,
"formula_full": "Mn1 Hg1 C4 S4 N4",
"formula_reduced": "MnHgC4(SN)4",
"formula_anonymous": "ABC4D4E4",
"energy": -97.9174668,
"energy_per_atom": -6.994104771428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -94.4614668,
"band_gap": 1.658,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0136061,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.878000Z",
"spacegroup": 82
},
{
"id": "mp-770481",
"created_at": "2022-09-04T14:47:19.105450Z",
"structure_string": "Ta9 P1 O25\n1.0\n-7.868631 7.868631 1.939756\n7.868631 -7.868631 1.939756\n7.868631 7.868631 -1.939756\nTa P O\n9 1 25\ndirect\n0.000000 0.000000 0.000000 Ta\n0.106365 0.779715 0.884961 Ta\n0.887838 0.676016 0.555750 Ta\n0.667912 0.112162 0.788178 Ta\n0.220285 0.105245 0.326650 Ta\n0.778595 0.893635 0.673350 Ta\n0.323984 0.879734 0.211822 Ta\n0.120266 0.332088 0.444250 Ta\n0.894755 0.221405 0.115039 Ta\n0.750000 0.250000 0.500000 P\n0.500000 0.500000 0.000000 O\n0.049404 0.881247 0.934930 O\n0.823085 0.778605 0.606790 O\n0.614539 0.248086 0.859674 O\n0.994378 0.723465 0.709809 O\n0.783705 0.176915 0.955521 O\n0.351149 0.152901 0.510700 O\n0.159552 0.648851 0.801752 O\n0.751914 0.611588 0.366453 O\n0.584723 0.096470 0.616569 O\n0.903530 0.520099 0.488253 O\n0.118753 0.053682 0.168157 O\n0.715432 0.005622 0.729088 O\n0.276535 0.986344 0.270912 O\n0.885525 0.950596 0.831843 O\n0.031846 0.415277 0.511747 O\n0.479901 0.968154 0.383431 O\n0.245134 0.385461 0.633547 O\n0.847099 0.357799 0.198248 O\n0.642201 0.840448 0.489300 O\n0.221395 0.828185 0.044479 O\n0.013656 0.284568 0.290191 O\n0.388412 0.754866 0.140326 O\n0.171815 0.216295 0.393210 O\n0.946318 0.114475 0.065070 O\n",
"nsites": 35,
"nelements": 3,
"elements": [
"Ta",
"P",
"O"
],
"chemical_system": "O-P-Ta",
"density": 7.118742169449771,
"density_atomic": 0.07285554144226224,
"volume": 480.4027162125667,
"volume_molar": 8.265865081481175,
"formula_full": "Ta9 P1 O25",
"formula_reduced": "Ta9PO25",
"formula_anonymous": "AB9C25",
"energy": -351.44217814,
"energy_per_atom": -10.041205089714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -334.26717814,
"band_gap": 2.7033,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011294,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.714000Z",
"spacegroup": 82
},
{
"id": "mp-1216790",
"created_at": "2022-09-04T14:47:19.106689Z",
"structure_string": "V2 Mo1 O8\n1.0\n1.861608 9.539851 0.000000\n-1.861608 9.539851 0.000000\n0.000000 0.019290 4.313374\nV Mo O\n2 1 8\ndirect\n0.836257 0.836257 0.894510 V\n0.215725 0.215725 0.104153 V\n0.026569 0.026569 0.897342 Mo\n0.317133 0.317133 0.990894 O\n0.734457 0.734457 0.008840 O\n0.837977 0.837977 0.519222 O\n0.213574 0.213574 0.479357 O\n0.927743 0.927743 0.994481 O\n0.124568 0.124568 0.995020 O\n0.026827 0.026827 0.497824 O\n0.525970 0.525970 0.983457 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"V",
"Mo",
"O"
],
"chemical_system": "Mo-O-V",
"density": 3.531404754914753,
"density_atomic": 0.07179856181814631,
"volume": 153.2064114022388,
"volume_molar": 8.387550679988646,
"formula_full": "V2 Mo1 O8",
"formula_reduced": "V2MoO8",
"formula_anonymous": "AB2C8",
"energy": -92.1530218,
"energy_per_atom": -8.377547436363637,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.0550218,
"band_gap": 1.4089,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.759000Z",
"spacegroup": 8
}
]
}