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=10172",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=10170",
"results": [
{
"id": "mp-7422",
"created_at": "2022-09-04T14:39:15.549227Z",
"structure_string": "Ca1 Cu2 P2\n1.0\n-2.012752 2.012752 4.869514\n2.012752 -2.012752 4.869514\n2.012752 2.012752 -4.869514\nCa Cu P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.618558 0.618558 0.000000 P\n0.381442 0.381442 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"P"
],
"chemical_system": "Ca-Cu-P",
"density": 4.821489896316851,
"density_atomic": 0.06336418605538875,
"volume": 78.90892807538525,
"volume_molar": 9.504013441813719,
"formula_full": "Ca1 Cu2 P2",
"formula_reduced": "Ca(CuP)2",
"formula_anonymous": "AB2C2",
"energy": -23.81402139,
"energy_per_atom": -4.762804278,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.81402139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002866,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.383000Z",
"spacegroup": 139
},
{
"id": "mp-1176864",
"created_at": "2022-09-04T14:39:15.551739Z",
"structure_string": "Li14 V6 P16 O58\n1.0\n9.865236 0.000000 0.000000\n-4.918173 -8.556509 0.000000\n-0.147568 0.058769 -13.918047\nLi V P O\n14 6 16 58\ndirect\n0.329161 0.234394 0.064912 Li\n0.313346 0.086747 0.562949 Li\n0.774843 0.688368 0.559894 Li\n0.663093 0.331364 0.383541 Li\n0.668420 0.329480 0.882693 Li\n0.905730 0.674439 0.061486 Li\n0.766619 0.095508 0.063243 Li\n0.094554 0.775489 0.441229 Li\n0.912173 0.225994 0.561928 Li\n0.331474 0.669336 0.113605 Li\n0.226942 0.323119 0.436395 Li\n0.680528 0.905993 0.435402 Li\n0.673251 0.768605 0.939030 Li\n0.043009 0.029937 0.999205 Li\n0.000149 0.564916 0.248351 V\n0.006399 0.436433 0.755992 V\n0.429169 0.996292 0.750894 V\n0.566175 0.001199 0.248440 V\n0.431890 0.431207 0.249867 V\n0.565877 0.567279 0.746842 V\n0.319925 0.226628 0.843427 P\n0.323227 0.088570 0.345619 P\n0.769417 0.676529 0.341951 P\n0.669607 0.335150 0.122571 P\n0.668002 0.332439 0.627565 P\n0.909054 0.683271 0.842473 P\n0.084921 0.765451 0.659057 P\n0.774599 0.090360 0.842728 P\n0.221807 0.911803 0.157474 P\n0.912227 0.233803 0.344621 P\n0.084513 0.310238 0.157197 P\n0.331456 0.664227 0.374833 P\n0.337651 0.670682 0.872489 P\n0.229368 0.316826 0.659365 P\n0.679259 0.913706 0.657657 P\n0.679220 0.769746 0.156088 P\n0.245336 0.242883 0.569294 O\n0.326881 0.245983 0.344836 O\n0.209571 0.008747 0.078166 O\n0.346317 0.084874 0.833913 O\n0.481181 0.375669 0.830879 O\n0.518086 0.329658 0.157856 O\n0.630813 0.509645 0.326874 O\n0.765421 0.762816 0.068338 O\n0.740262 0.661115 0.835053 O\n0.515936 0.185965 0.664661 O\n0.490789 0.119727 0.327149 O\n0.670691 0.485807 0.664630 O\n0.682603 0.349435 0.014536 O\n0.670799 0.333491 0.519476 O\n0.817433 0.487004 0.166913 O\n0.626707 0.105971 0.829738 O\n0.676805 0.189755 0.158546 O\n0.922564 0.670015 0.342909 O\n0.996245 0.787421 0.750447 O\n0.995834 0.758012 0.568963 O\n0.984944 0.767834 0.933325 O\n0.891653 0.518783 0.830317 O\n0.816792 0.332430 0.670272 O\n0.076287 0.745888 0.157117 O\n0.885016 0.374103 0.325303 O\n0.753494 0.082681 0.344645 O\n0.211646 0.988201 0.258040 O\n0.251828 0.996078 0.435867 O\n0.756880 0.001306 0.567606 O\n0.247944 0.915178 0.660587 O\n0.095299 0.617993 0.675484 O\n0.917875 0.253592 0.840494 O\n0.179552 0.659960 0.324685 O\n0.098167 0.474423 0.165304 O\n0.987452 0.208178 0.075588 O\n0.004677 0.255545 0.435973 O\n0.009583 0.220940 0.257349 O\n0.084101 0.334934 0.659577 O\n0.330843 0.811226 0.828526 O\n0.369292 0.895628 0.162063 O\n0.186635 0.520083 0.829742 O\n0.337891 0.668890 0.979700 O\n0.315000 0.666772 0.481157 O\n0.327932 0.513007 0.338181 O\n0.522188 0.906267 0.676227 O\n0.478777 0.811672 0.335046 O\n0.249669 0.331858 0.156261 O\n0.211777 0.210539 0.751354 O\n0.234368 0.216550 0.933338 O\n0.379518 0.476555 0.679593 O\n0.486797 0.670820 0.834854 O\n0.514146 0.627937 0.167700 O\n0.670429 0.920640 0.156542 O\n0.770878 0.998097 0.930282 O\n0.788930 0.999672 0.749345 O\n0.660825 0.748122 0.657072 O\n0.754386 0.755386 0.430830 O\n0.782366 0.781341 0.250088 O\n",
"nsites": 94,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5813987213930636,
"density_atomic": 0.08001021995067546,
"volume": 1174.8499136478931,
"volume_molar": 7.52671441687389,
"formula_full": "Li14 V6 P16 O58",
"formula_reduced": "Li7V3P8O29",
"formula_anonymous": "A3B7C8D29",
"energy": -707.8323191100001,
"energy_per_atom": -7.530131054361703,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -657.78631911,
"band_gap": 0.7826,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9996121,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.443000Z",
"spacegroup": 1
},
{
"id": "mp-976263",
"created_at": "2022-09-04T14:39:15.553329Z",
"structure_string": "Li3 Nb1\n1.0\n-1.947122 1.947122 4.646854\n1.947122 -1.947122 4.646854\n1.947122 1.947122 -4.646854\nLi Nb\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Nb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Nb"
],
"chemical_system": "Li-Nb",
"density": 2.6798866337025404,
"density_atomic": 0.05676160209288553,
"volume": 70.4701744227434,
"volume_molar": 10.609532743887813,
"formula_full": "Li3 Nb1",
"formula_reduced": "Li3Nb",
"formula_anonymous": "AB3",
"energy": -13.01227865,
"energy_per_atom": -3.2530696625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -13.01227865,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.2817686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.133000Z",
"spacegroup": 139
},
{
"id": "mp-1070",
"created_at": "2022-09-04T14:39:15.556549Z",
"structure_string": "Cd2 Se2\n1.0\n2.196975 -3.805273 0.000000\n2.196975 3.805273 0.000000\n0.000000 0.000000 7.170578\nCd Se\n2 2\ndirect\n0.666667 0.333333 0.499969 Cd\n0.333333 0.666667 0.999969 Cd\n0.666667 0.333333 0.875891 Se\n0.333333 0.666667 0.375891 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cd",
"Se"
],
"chemical_system": "Cd-Se",
"density": 5.3010283248814725,
"density_atomic": 0.033362984732499004,
"volume": 119.89334983280395,
"volume_molar": 18.050365722026697,
"formula_full": "Cd2 Se2",
"formula_reduced": "CdSe",
"formula_anonymous": "AB",
"energy": -12.25541974,
"energy_per_atom": -3.063854935,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.31141974,
"band_gap": 0.5724,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.651000Z",
"spacegroup": 186
},
{
"id": "mp-1228813",
"created_at": "2022-09-04T14:39:15.557180Z",
"structure_string": "Al1 V3\n1.0\n-1.543404 -1.515883 1.515883\n-1.543404 1.515883 -1.515883\n0.000000 -5.990202 -5.990202\nAl V\n1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.257787 V\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.742213 V\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"V"
],
"chemical_system": "Al-V",
"density": 5.326066777883863,
"density_atomic": 0.07135316276226661,
"volume": 56.05918287500639,
"volume_molar": 8.439907254096749,
"formula_full": "Al1 V3",
"formula_reduced": "AlV3",
"formula_anonymous": "AB3",
"energy": -31.36422221,
"energy_per_atom": -7.8410555525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.36422221,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0065464,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.530000Z",
"spacegroup": 65
},
{
"id": "mp-20892",
"created_at": "2022-09-04T14:39:15.604700Z",
"structure_string": "Zr4 Fe4 P4\n1.0\n3.761831 0.000000 0.000000\n0.000000 6.331533 0.000000\n0.000000 0.000000 7.088344\nZr Fe P\n4 4 4\ndirect\n0.250000 0.514854 0.685310 Zr\n0.750000 0.485146 0.314690 Zr\n0.250000 0.014854 0.814690 Zr\n0.750000 0.985146 0.185310 Zr\n0.750000 0.854089 0.561797 Fe\n0.250000 0.145911 0.438203 Fe\n0.750000 0.354089 0.938203 Fe\n0.250000 0.645911 0.061797 Fe\n0.250000 0.283538 0.111733 P\n0.750000 0.716462 0.888267 P\n0.250000 0.783538 0.388267 P\n0.750000 0.216462 0.611733 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zr",
"Fe",
"P"
],
"chemical_system": "Fe-P-Zr",
"density": 7.004553715516284,
"density_atomic": 0.07107687160637971,
"volume": 168.83129109079846,
"volume_molar": 8.47271499701102,
"formula_full": "Zr4 Fe4 P4",
"formula_reduced": "ZrFeP",
"formula_anonymous": "ABC",
"energy": -102.35103126,
"energy_per_atom": -8.529252605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.35103126,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0035442,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.901000Z",
"spacegroup": 62
},
{
"id": "mp-1224037",
"created_at": "2022-09-04T14:39:15.572929Z",
"structure_string": "La8 In4 Cu4 S20\n1.0\n3.979646 0.000000 0.000000\n0.000000 11.605372 0.000000\n0.000000 0.000000 16.919570\nLa In Cu S\n8 4 4 20\ndirect\n0.250000 0.135440 0.408106 La\n0.250000 0.635440 0.091894 La\n0.750000 0.864560 0.591894 La\n0.750000 0.364560 0.908106 La\n0.250000 0.480388 0.321464 La\n0.250000 0.980388 0.178536 La\n0.750000 0.519612 0.678536 La\n0.750000 0.019612 0.821464 La\n0.250000 0.195448 0.641167 In\n0.250000 0.695448 0.858833 In\n0.750000 0.804552 0.358833 In\n0.750000 0.304552 0.141167 In\n0.250000 0.595014 0.496895 Cu\n0.250000 0.095014 0.003105 Cu\n0.750000 0.404986 0.503105 Cu\n0.750000 0.904986 0.996895 Cu\n0.250000 0.682359 0.616813 S\n0.250000 0.182359 0.883187 S\n0.750000 0.317641 0.383187 S\n0.750000 0.817641 0.116813 S\n0.250000 0.398780 0.573539 S\n0.250000 0.898780 0.926461 S\n0.750000 0.601220 0.426461 S\n0.750000 0.101220 0.073539 S\n0.250000 0.886061 0.462151 S\n0.250000 0.386061 0.037849 S\n0.750000 0.113939 0.537849 S\n0.750000 0.613939 0.962151 S\n0.250000 0.486473 0.805813 S\n0.250000 0.986473 0.694187 S\n0.750000 0.513527 0.194187 S\n0.750000 0.013527 0.305813 S\n0.250000 0.739709 0.270192 S\n0.250000 0.239709 0.229808 S\n0.750000 0.260291 0.729808 S\n0.750000 0.760291 0.770192 S\n",
"nsites": 36,
"nelements": 4,
"elements": [
"La",
"In",
"Cu",
"S"
],
"chemical_system": "Cu-In-La-S",
"density": 5.240217315238577,
"density_atomic": 0.04606909396720361,
"volume": 781.434946943568,
"volume_molar": 13.071975681325828,
"formula_full": "La8 In4 Cu4 S20",
"formula_reduced": "La2InCuS5",
"formula_anonymous": "ABC2D5",
"energy": -211.22372332,
"energy_per_atom": -5.867325647777778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.16372332,
"band_gap": 0.8944999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.457000Z",
"spacegroup": 62
},
{
"id": "mp-756799",
"created_at": "2022-09-04T14:39:15.576849Z",
"structure_string": "Ti2 Nb2 Cu3 O12\n1.0\n3.770918 5.291081 0.000000\n-3.770918 5.291081 0.000000\n0.000000 5.286884 5.359474\nTi Nb Cu O\n2 2 3 12\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.500000 0.500000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.183569 0.183569 0.505175 O\n0.869405 0.507214 0.313294 O\n0.492786 0.130595 0.686706 O\n0.313699 0.690094 0.817071 O\n0.690094 0.313699 0.817071 O\n0.178107 0.178107 0.134549 O\n0.821893 0.821893 0.865451 O\n0.309906 0.686301 0.182929 O\n0.686301 0.309906 0.182929 O\n0.507214 0.869405 0.313294 O\n0.130595 0.492786 0.686706 O\n0.816431 0.816431 0.494825 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ti",
"Nb",
"Cu",
"O"
],
"chemical_system": "Cu-Nb-O-Ti",
"density": 5.156910962084672,
"density_atomic": 0.08884028399162848,
"volume": 213.8669435342011,
"volume_molar": 6.778614936178585,
"formula_full": "Ti2 Nb2 Cu3 O12",
"formula_reduced": "Ti2Nb2(CuO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -154.22289968,
"energy_per_atom": -8.116994720000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -145.97889968,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.9916902,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.261000Z",
"spacegroup": 12
},
{
"id": "mp-975904",
"created_at": "2022-09-04T14:39:15.583149Z",
"structure_string": "Li3 Cd1\n1.0\n-2.063000 2.063000 4.373790\n2.063000 -2.063000 4.373790\n2.063000 2.063000 -4.373790\nLi Cd\n3 1\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Cd"
],
"chemical_system": "Cd-Li",
"density": 2.971308802329028,
"density_atomic": 0.053720941667250346,
"volume": 74.45885861004,
"volume_molar": 11.21004318446497,
"formula_full": "Li3 Cd1",
"formula_reduced": "Li3Cd",
"formula_anonymous": "AB3",
"energy": -7.34518767,
"energy_per_atom": -1.8362969175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -7.34518767,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0051565,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.642000Z",
"spacegroup": 139
},
{
"id": "mp-23227",
"created_at": "2022-09-04T14:39:15.590463Z",
"structure_string": "Cu2 Br2\n1.0\n2.066421 -3.579145 0.000000\n2.066421 3.579145 0.000000\n0.000000 0.000000 6.619653\nCu Br\n2 2\ndirect\n0.000000 0.000000 0.250000 Cu\n0.000000 0.000000 0.750000 Cu\n0.666667 0.333333 0.250000 Br\n0.333333 0.666667 0.750000 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Cu",
"Br"
],
"chemical_system": "Br-Cu",
"density": 4.8653750732541035,
"density_atomic": 0.040850433672299714,
"volume": 97.9181771260451,
"volume_molar": 14.741926140391396,
"formula_full": "Cu2 Br2",
"formula_reduced": "CuBr",
"formula_anonymous": "AB",
"energy": -13.3787366,
"energy_per_atom": -3.34468415,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.3107366,
"band_gap": 0.4321000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.31e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.409000Z",
"spacegroup": 194
},
{
"id": "mp-771047",
"created_at": "2022-09-04T14:39:15.596379Z",
"structure_string": "Mn4 I8 O24\n1.0\n5.460386 0.000000 0.000000\n0.000000 6.831790 0.000000\n0.000000 0.000000 14.965346\nMn I O\n4 8 24\ndirect\n0.750000 0.145079 0.000000 Mn\n0.250000 0.854921 0.000000 Mn\n0.250000 0.354921 0.500000 Mn\n0.750000 0.645079 0.500000 Mn\n0.248232 0.287197 0.151624 I\n0.748232 0.712803 0.151624 I\n0.748232 0.212803 0.348376 I\n0.248232 0.787197 0.348376 I\n0.751768 0.212803 0.651624 I\n0.251768 0.787197 0.651624 I\n0.251768 0.287197 0.848376 I\n0.751768 0.712803 0.848376 I\n0.410844 0.107232 0.078881 O\n0.910844 0.892768 0.078881 O\n0.971264 0.336992 0.083626 O\n0.471264 0.663008 0.083626 O\n0.627414 0.373633 0.262439 O\n0.127414 0.626367 0.262439 O\n0.127414 0.126367 0.237561 O\n0.627414 0.873633 0.237561 O\n0.471264 0.163008 0.416374 O\n0.971264 0.836992 0.416374 O\n0.910844 0.392768 0.421119 O\n0.410844 0.607232 0.421119 O\n0.589156 0.392768 0.578881 O\n0.089156 0.607232 0.578881 O\n0.028736 0.163008 0.583626 O\n0.528736 0.836992 0.583626 O\n0.372586 0.126367 0.762439 O\n0.872586 0.873633 0.762439 O\n0.872586 0.373633 0.737561 O\n0.372586 0.626367 0.737561 O\n0.528736 0.336992 0.916374 O\n0.028736 0.663008 0.916374 O\n0.089156 0.107232 0.921119 O\n0.589156 0.892768 0.921119 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"I",
"O"
],
"chemical_system": "I-Mn-O",
"density": 4.815531558393668,
"density_atomic": 0.06448487848665269,
"volume": 558.2704169544401,
"volume_molar": 9.338841758454246,
"formula_full": "Mn4 I8 O24",
"formula_reduced": "Mn(IO3)2",
"formula_anonymous": "AB2C6",
"energy": -208.0665196,
"energy_per_atom": -5.779625544444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.9065196,
"band_gap": 2.0822,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0014446,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.695000Z",
"spacegroup": 60
},
{
"id": "mp-759663",
"created_at": "2022-09-04T14:39:15.598597Z",
"structure_string": "Li4 V2 Cr2 P8 O28\n1.0\n8.220760 0.000000 0.000000\n0.000000 7.023518 0.000000\n0.000000 3.127252 9.221486\nLi V Cr P O\n4 2 2 8 28\ndirect\n0.863099 0.676719 0.911478 Li\n0.363055 0.322840 0.588105 Li\n0.863055 0.677160 0.411895 Li\n0.363099 0.323281 0.088522 Li\n0.999488 0.271138 0.608095 V\n0.499488 0.728862 0.391905 V\n0.500000 0.727994 0.892941 Cr\n0.000000 0.272006 0.107059 Cr\n0.180607 0.522939 0.800439 P\n0.783056 0.085593 0.894537 P\n0.284753 0.914143 0.606846 P\n0.679735 0.478735 0.700494 P\n0.179735 0.521265 0.299506 P\n0.784753 0.085857 0.393154 P\n0.283056 0.914407 0.105463 P\n0.680607 0.477061 0.199561 P\n0.323269 0.854370 0.973029 O\n0.693152 0.883955 0.934566 O\n0.037969 0.481570 0.907106 O\n0.346296 0.509255 0.876150 O\n0.678365 0.606668 0.801469 O\n0.434785 0.916189 0.699830 O\n0.151778 0.753451 0.702679 O\n0.651740 0.246456 0.797284 O\n0.933652 0.080487 0.802089 O\n0.179715 0.394295 0.699478 O\n0.844135 0.494935 0.623990 O\n0.537098 0.517683 0.593301 O\n0.323192 0.851261 0.474695 O\n0.696638 0.884623 0.435083 O\n0.196638 0.115377 0.564917 O\n0.823192 0.148739 0.525305 O\n0.037098 0.482317 0.406699 O\n0.344135 0.505065 0.376010 O\n0.679715 0.605705 0.300522 O\n0.433652 0.919513 0.197911 O\n0.151740 0.753544 0.202716 O\n0.651778 0.246549 0.297321 O\n0.934785 0.083811 0.300170 O\n0.178365 0.393332 0.198531 O\n0.846296 0.490745 0.123850 O\n0.537969 0.518430 0.092894 O\n0.193152 0.116045 0.065434 O\n0.823269 0.145630 0.026971 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 2.8986115894425595,
"density_atomic": 0.08263900814539972,
"volume": 532.4362064290985,
"volume_molar": 7.287285865537383,
"formula_full": "Li4 V2 Cr2 P8 O28",
"formula_reduced": "Li2VCr(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -345.89033667,
"energy_per_atom": -7.861144015227273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.25633667,
"band_gap": 2.1997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9997978,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.559000Z",
"spacegroup": 4
}
]
}