GET /third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=11517
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_uncorrected&page=11518",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=11516",
    "results": [
        {
            "id": "mp-559142",
            "created_at": "2022-09-04T14:48:12.807970Z",
            "structure_string": "K8 Li8 P16 O48\n1.0\n7.014832 6.975573 0.000000\n-7.014832 6.975573 0.000000\n0.000000 0.057282 12.015139\nK Li P O\n8 8 16 48\ndirect\n0.778713 0.531110 0.955717 K\n0.468890 0.221287 0.544283 K\n0.998683 0.746487 0.471272 K\n0.221287 0.468890 0.044283 K\n0.531110 0.778713 0.455717 K\n0.001317 0.253513 0.528728 K\n0.253513 0.001317 0.028728 K\n0.746487 0.998683 0.971272 K\n0.611819 0.772102 0.127587 Li\n0.255982 0.882671 0.567845 Li\n0.117329 0.744018 0.932155 Li\n0.388181 0.227898 0.872413 Li\n0.227898 0.388181 0.372413 Li\n0.772102 0.611819 0.627587 Li\n0.882671 0.255982 0.067845 Li\n0.744018 0.117329 0.432155 Li\n0.480189 0.519811 0.250000 P\n0.034326 0.965674 0.750000 P\n0.551495 0.289477 0.098975 P\n0.469359 0.948023 0.751780 P\n0.710523 0.448505 0.401025 P\n0.289477 0.551495 0.598975 P\n0.530641 0.051977 0.248220 P\n0.948023 0.469359 0.251780 P\n0.247024 0.053873 0.336732 P\n0.946127 0.752976 0.163268 P\n0.519811 0.480189 0.750000 P\n0.051977 0.530641 0.748220 P\n0.053873 0.247024 0.836732 P\n0.965674 0.034326 0.250000 P\n0.752976 0.946127 0.663268 P\n0.448505 0.710523 0.901025 P\n0.052700 0.128969 0.742318 O\n0.555021 0.451971 0.357089 O\n0.947300 0.871031 0.257682 O\n0.450023 0.789617 0.782232 O\n0.580134 0.036204 0.365863 O\n0.334480 0.479382 0.258806 O\n0.549977 0.210383 0.217768 O\n0.965842 0.583937 0.656070 O\n0.086682 0.915498 0.859058 O\n0.479382 0.334480 0.758806 O\n0.034158 0.416063 0.343930 O\n0.128969 0.052700 0.242318 O\n0.444979 0.548029 0.642911 O\n0.235433 0.932622 0.411043 O\n0.741845 0.575358 0.464652 O\n0.963796 0.419866 0.134137 O\n0.036204 0.580134 0.865863 O\n0.575358 0.741845 0.964652 O\n0.258087 0.191154 0.388728 O\n0.808846 0.741913 0.111272 O\n0.915498 0.086682 0.359058 O\n0.419866 0.963796 0.634137 O\n0.067378 0.764567 0.088957 O\n0.367656 0.031664 0.245625 O\n0.451971 0.555021 0.857089 O\n0.273410 0.685544 0.542099 O\n0.632344 0.968336 0.754375 O\n0.258155 0.424642 0.535348 O\n0.084502 0.913318 0.640942 O\n0.416063 0.034158 0.843930 O\n0.685544 0.273410 0.042099 O\n0.741913 0.808846 0.611272 O\n0.913318 0.084502 0.140942 O\n0.583937 0.965842 0.156070 O\n0.314456 0.726590 0.957901 O\n0.520618 0.665520 0.241194 O\n0.968336 0.632344 0.254375 O\n0.932622 0.235433 0.911043 O\n0.210383 0.549977 0.717768 O\n0.191154 0.258087 0.888728 O\n0.548029 0.444979 0.142911 O\n0.764567 0.067378 0.588957 O\n0.424642 0.258155 0.035348 O\n0.031664 0.367656 0.745625 O\n0.871031 0.947300 0.757682 O\n0.726590 0.314456 0.457901 O\n0.665520 0.520618 0.741194 O\n0.789617 0.450023 0.282232 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "P",
                "O"
            ],
            "chemical_system": "K-Li-O-P",
            "density": 2.3045045957007018,
            "density_atomic": 0.06803525696884012,
            "volume": 1175.8609221780362,
            "volume_molar": 8.851499984424425,
            "formula_full": "K8 Li8 P16 O48",
            "formula_reduced": "KLi(PO3)2",
            "formula_anonymous": "ABC2D6",
            "energy": -564.98579539,
            "energy_per_atom": -7.062322442375001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.00979539,
            "band_gap": 5.3696,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:26.209000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-757627",
            "created_at": "2022-09-04T14:41:06.787933Z",
            "structure_string": "Li4 V12 P12 O44\n1.0\n9.758944 0.000000 0.000000\n0.000000 10.006444 0.000000\n0.000000 5.305599 8.938296\nLi V P O\n4 12 12 44\ndirect\n0.773384 0.360026 0.121084 Li\n0.726616 0.360026 0.621084 Li\n0.273384 0.639974 0.378916 Li\n0.226616 0.639974 0.878916 Li\n0.866431 0.725509 0.636852 V\n0.631717 0.094411 0.400294 V\n0.362102 0.072913 0.234997 V\n0.366431 0.274491 0.863148 V\n0.862102 0.927087 0.265003 V\n0.868283 0.094411 0.900294 V\n0.131717 0.905589 0.099706 V\n0.137898 0.072913 0.734997 V\n0.633569 0.725509 0.136852 V\n0.637898 0.927087 0.765003 V\n0.368283 0.905589 0.599706 V\n0.133569 0.274491 0.363148 V\n0.557272 0.598128 0.765279 P\n0.057272 0.401872 0.734721 P\n0.070711 0.241362 0.063381 P\n0.656558 0.120108 0.057845 P\n0.156558 0.879892 0.442155 P\n0.429289 0.241362 0.563381 P\n0.570711 0.758638 0.436619 P\n0.843442 0.120108 0.557845 P\n0.343442 0.879892 0.942155 P\n0.929289 0.758638 0.936619 P\n0.942728 0.598128 0.265279 P\n0.442728 0.401872 0.234721 P\n0.219086 0.756404 0.590603 O\n0.709889 0.571402 0.793949 O\n0.526345 0.618743 0.597479 O\n0.455565 0.473797 0.863349 O\n0.480937 0.241452 0.255147 O\n0.017048 0.279656 0.177304 O\n0.955565 0.526203 0.636651 O\n0.026345 0.381257 0.902521 O\n0.209889 0.428598 0.706051 O\n0.219548 0.042178 0.409613 O\n0.226793 0.223587 0.057328 O\n0.719514 0.134601 0.191220 O\n0.719086 0.243596 0.909397 O\n0.499667 0.119814 0.056716 O\n0.498374 0.909828 0.417650 O\n0.998374 0.090172 0.082350 O\n0.019063 0.241452 0.755147 O\n0.999667 0.880186 0.443284 O\n0.482952 0.279656 0.677304 O\n0.219514 0.865399 0.308780 O\n0.280452 0.042178 0.909613 O\n0.273207 0.223587 0.557328 O\n0.726793 0.776413 0.442672 O\n0.719548 0.957822 0.090387 O\n0.780486 0.134601 0.691220 O\n0.517048 0.720344 0.322696 O\n0.000333 0.119814 0.556716 O\n0.980937 0.758548 0.244853 O\n0.001626 0.909828 0.917650 O\n0.501626 0.090172 0.582350 O\n0.500333 0.880186 0.943284 O\n0.280914 0.756404 0.090603 O\n0.280486 0.865399 0.808780 O\n0.773207 0.776413 0.942672 O\n0.780452 0.957822 0.590387 O\n0.790111 0.571402 0.293949 O\n0.973655 0.618743 0.097479 O\n0.044435 0.473797 0.363349 O\n0.982952 0.720344 0.822696 O\n0.519063 0.758548 0.744853 O\n0.544435 0.526203 0.136651 O\n0.473655 0.381257 0.402521 O\n0.290111 0.428598 0.206051 O\n0.780914 0.243596 0.409397 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 3.262159349084862,
            "density_atomic": 0.0824888347401957,
            "volume": 872.8454005535294,
            "volume_molar": 7.300552588683245,
            "formula_full": "Li4 V12 P12 O44",
            "formula_reduced": "LiV3P3O11",
            "formula_anonymous": "AB3C3D11",
            "energy": -582.6469958800001,
            "energy_per_atom": -8.092319387222224,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.01899588,
            "band_gap": 2.4475,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 36.0000001,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:10.453000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1200792",
            "created_at": "2022-09-04T14:46:29.530785Z",
            "structure_string": "Fe4 P16 C16 O40\n1.0\n13.130226 0.000000 0.000000\n0.000000 9.499576 0.000000\n0.000000 8.777459 10.444101\nFe P C O\n4 16 16 40\ndirect\n0.321306 0.594216 0.808860 Fe\n0.178694 0.594216 0.308860 Fe\n0.678694 0.405784 0.191140 Fe\n0.821306 0.405784 0.691140 Fe\n0.414303 0.817052 0.766827 P\n0.085697 0.817052 0.266827 P\n0.585697 0.182948 0.233173 P\n0.914303 0.182948 0.733173 P\n0.518080 0.164155 0.561413 P\n0.981920 0.164155 0.061413 P\n0.481920 0.835845 0.438587 P\n0.018080 0.835845 0.938587 P\n0.418512 0.117728 0.776558 P\n0.081488 0.117728 0.276558 P\n0.581488 0.882272 0.223442 P\n0.918512 0.882272 0.723442 P\n0.607234 0.911703 0.822095 P\n0.892766 0.911703 0.322095 P\n0.392766 0.088297 0.177905 P\n0.107234 0.088297 0.677905 P\n0.243934 0.411031 0.841456 C\n0.256066 0.411031 0.341456 C\n0.756066 0.588969 0.158544 C\n0.743934 0.588969 0.658544 C\n0.259398 0.754421 0.657712 C\n0.240602 0.754421 0.157712 C\n0.740602 0.245579 0.342288 C\n0.759398 0.245579 0.842288 C\n0.273094 0.551988 0.948021 C\n0.226906 0.551988 0.448021 C\n0.726906 0.448012 0.051979 C\n0.773094 0.448012 0.551979 C\n0.434763 0.483591 0.818544 C\n0.065237 0.483591 0.318544 C\n0.565237 0.516409 0.181456 C\n0.934763 0.516409 0.681456 C\n0.447650 0.976772 0.617435 O\n0.052350 0.976772 0.117435 O\n0.552350 0.023228 0.382565 O\n0.947650 0.023228 0.882565 O\n0.241099 0.522065 0.039256 O\n0.258901 0.522065 0.539256 O\n0.758901 0.477935 0.960744 O\n0.741099 0.477935 0.460744 O\n0.219542 0.857845 0.559135 O\n0.280458 0.857845 0.059135 O\n0.780458 0.142155 0.440865 O\n0.719542 0.142155 0.940865 O\n0.362949 0.938314 0.799978 O\n0.137051 0.938314 0.299978 O\n0.637051 0.061686 0.200022 O\n0.862949 0.061686 0.700022 O\n0.453044 0.240168 0.623831 O\n0.046956 0.240168 0.123831 O\n0.546956 0.759832 0.376169 O\n0.953044 0.759832 0.876169 O\n0.193909 0.294178 0.862200 O\n0.306091 0.294178 0.362200 O\n0.806091 0.705822 0.137800 O\n0.693909 0.705822 0.637800 O\n0.523911 0.761410 0.839752 O\n0.976089 0.761410 0.339752 O\n0.476089 0.238590 0.160248 O\n0.023911 0.238590 0.660248 O\n0.508966 0.410494 0.825637 O\n0.991034 0.410494 0.325637 O\n0.491034 0.589506 0.174363 O\n0.008966 0.589506 0.674363 O\n0.529417 0.021754 0.848645 O\n0.970583 0.021754 0.348645 O\n0.470583 0.978246 0.151355 O\n0.029417 0.978246 0.651355 O\n0.614909 0.062269 0.663545 O\n0.885091 0.062269 0.163545 O\n0.385091 0.937731 0.336455 O\n0.114909 0.937731 0.836455 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Fe",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Fe-O-P",
            "density": 1.9771675727696993,
            "density_atomic": 0.05833995722080516,
            "volume": 1302.7092171554923,
            "volume_molar": 10.322497730341816,
            "formula_full": "Fe4 P16 C16 O40",
            "formula_reduced": "FeP4(C2O5)2",
            "formula_anonymous": "AB4C4D10",
            "energy": -568.53179898,
            "energy_per_atom": -7.480681565526315,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.02779898,
            "band_gap": 3.8231,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016988,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:41.306000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1202434",
            "created_at": "2022-09-04T14:44:42.129675Z",
            "structure_string": "K4 Nb12 Se8 O48\n1.0\n4.072747 0.000000 0.000000\n0.000000 15.181508 0.000000\n0.000000 0.000000 17.549710\nK Nb Se O\n4 12 8 48\ndirect\n0.200588 0.067128 0.750000 K\n0.799412 0.932872 0.250000 K\n0.200588 0.432872 0.250000 K\n0.799412 0.567128 0.750000 K\n0.262948 0.788824 0.750000 Nb\n0.737052 0.211176 0.250000 Nb\n0.262948 0.711176 0.250000 Nb\n0.737052 0.288824 0.750000 Nb\n0.742065 0.148314 0.566675 Nb\n0.257935 0.851686 0.066675 Nb\n0.742065 0.351686 0.433325 Nb\n0.257935 0.648314 0.933325 Nb\n0.257935 0.851686 0.433325 Nb\n0.742065 0.148314 0.933325 Nb\n0.257935 0.648314 0.566675 Nb\n0.742065 0.351686 0.066675 Nb\n0.588498 0.918783 0.601314 Se\n0.411502 0.081217 0.101314 Se\n0.588498 0.581217 0.398686 Se\n0.411502 0.418783 0.898686 Se\n0.411502 0.081217 0.398686 Se\n0.588498 0.918783 0.898686 Se\n0.411502 0.418783 0.601314 Se\n0.588498 0.581217 0.101314 Se\n0.302527 0.932470 0.528903 O\n0.697473 0.067530 0.028903 O\n0.302527 0.567530 0.471097 O\n0.697473 0.432470 0.971097 O\n0.697473 0.067530 0.471097 O\n0.302527 0.932470 0.971097 O\n0.697473 0.432470 0.528903 O\n0.302527 0.567530 0.028903 O\n0.672708 0.026596 0.627799 O\n0.327292 0.973404 0.127799 O\n0.672708 0.473404 0.372201 O\n0.327292 0.526596 0.872201 O\n0.327292 0.973404 0.372201 O\n0.672708 0.026596 0.872201 O\n0.327292 0.526596 0.627799 O\n0.672708 0.473404 0.127799 O\n0.309485 0.895652 0.673199 O\n0.690515 0.104348 0.173199 O\n0.309485 0.604348 0.326801 O\n0.690515 0.395652 0.826801 O\n0.690515 0.104348 0.326801 O\n0.309485 0.895652 0.826801 O\n0.690515 0.395652 0.673199 O\n0.309485 0.604348 0.173199 O\n0.313122 0.703600 0.667670 O\n0.686878 0.296400 0.167670 O\n0.313122 0.796400 0.332330 O\n0.686878 0.203600 0.832330 O\n0.686878 0.296400 0.332330 O\n0.313122 0.703600 0.832330 O\n0.686878 0.203600 0.667670 O\n0.313122 0.796400 0.167670 O\n0.814128 0.796577 0.750000 O\n0.185872 0.203423 0.250000 O\n0.814128 0.703423 0.250000 O\n0.185872 0.296577 0.750000 O\n0.685895 0.250000 0.500000 O\n0.314105 0.750000 0.000000 O\n0.314105 0.750000 0.500000 O\n0.685895 0.250000 0.000000 O\n0.187783 0.142464 0.567243 O\n0.812217 0.857536 0.067243 O\n0.187783 0.357536 0.432757 O\n0.812217 0.642464 0.932757 O\n0.812217 0.857536 0.432757 O\n0.187783 0.142464 0.932757 O\n0.812217 0.642464 0.567243 O\n0.187783 0.357536 0.067243 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "K",
                "Nb",
                "Se",
                "O"
            ],
            "chemical_system": "K-Nb-O-Se",
            "density": 4.08731250622745,
            "density_atomic": 0.06635294554281279,
            "volume": 1085.1063115735167,
            "volume_molar": 9.075920760916853,
            "formula_full": "K4 Nb12 Se8 O48",
            "formula_reduced": "KNb3(SeO6)2",
            "formula_anonymous": "AB2C3D12",
            "energy": -565.01741014,
            "energy_per_atom": -7.8474640297222225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.04141014,
            "band_gap": 2.3298,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003106,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:45.990000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-16594",
            "created_at": "2022-09-04T14:44:26.367909Z",
            "structure_string": "K18 Tb6 Si12 O42\n1.0\n4.993291 -8.648634 0.000000\n4.993291 8.648634 0.000000\n0.000000 0.000000 14.530281\nK Tb Si O\n18 6 12 42\ndirect\n0.000000 0.000000 0.500000 K\n0.331845 0.000000 0.091212 K\n0.331845 0.331845 0.591212 K\n0.000000 0.668155 0.591212 K\n0.000000 0.331845 0.091212 K\n0.668155 0.668155 0.091212 K\n0.331845 0.000000 0.408788 K\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.666667 0.333333 0.750000 K\n0.333333 0.666667 0.250000 K\n0.668155 0.668155 0.408788 K\n0.668155 0.000000 0.908788 K\n0.000000 0.668155 0.908788 K\n0.000000 0.331845 0.408788 K\n0.668155 0.000000 0.591212 K\n0.331845 0.331845 0.908788 K\n0.000000 0.000000 0.750000 Tb\n0.333333 0.666667 0.000000 Tb\n0.666667 0.333333 0.500000 Tb\n0.666667 0.333333 0.000000 Tb\n0.333333 0.666667 0.500000 Tb\n0.000000 0.000000 0.250000 Tb\n0.658655 0.658655 0.857048 Si\n0.341345 0.000000 0.857048 Si\n0.000000 0.341345 0.857048 Si\n0.000000 0.658655 0.357048 Si\n0.341345 0.000000 0.642952 Si\n0.341345 0.341345 0.357048 Si\n0.658655 0.000000 0.357048 Si\n0.341345 0.341345 0.142952 Si\n0.000000 0.658655 0.142952 Si\n0.000000 0.341345 0.642952 Si\n0.658655 0.658655 0.642952 Si\n0.658655 0.000000 0.142952 Si\n0.407005 0.000000 0.750000 O\n0.407005 0.407005 0.250000 O\n0.000000 0.592995 0.250000 O\n0.000000 0.407005 0.750000 O\n0.592995 0.592995 0.750000 O\n0.592995 0.000000 0.250000 O\n0.822570 0.822570 0.852432 O\n0.177430 0.000000 0.852432 O\n0.000000 0.177430 0.852432 O\n0.000000 0.822570 0.352432 O\n0.177430 0.000000 0.647568 O\n0.177430 0.177430 0.352432 O\n0.822570 0.000000 0.352432 O\n0.177430 0.177430 0.147568 O\n0.000000 0.822570 0.147568 O\n0.000000 0.177430 0.647568 O\n0.822570 0.822570 0.647568 O\n0.822570 0.000000 0.147568 O\n0.321852 0.844938 0.907955 O\n0.155062 0.476914 0.907955 O\n0.523086 0.678148 0.907955 O\n0.476914 0.321852 0.407955 O\n0.678148 0.523086 0.592045 O\n0.678148 0.155062 0.407955 O\n0.844938 0.523086 0.407955 O\n0.155062 0.678148 0.092045 O\n0.523086 0.844938 0.092045 O\n0.476914 0.155062 0.592045 O\n0.844938 0.321852 0.592045 O\n0.321852 0.476914 0.092045 O\n0.678148 0.155062 0.092045 O\n0.844938 0.523086 0.092045 O\n0.476914 0.321852 0.092045 O\n0.523086 0.678148 0.592045 O\n0.321852 0.476914 0.407955 O\n0.321852 0.844938 0.592045 O\n0.678148 0.523086 0.907955 O\n0.155062 0.678148 0.407955 O\n0.523086 0.844938 0.407955 O\n0.476914 0.155062 0.907955 O\n0.844938 0.321852 0.907955 O\n0.155062 0.476914 0.592045 O\n",
            "nsites": 78,
            "nelements": 4,
            "elements": [
                "K",
                "Tb",
                "Si",
                "O"
            ],
            "chemical_system": "K-O-Si-Tb",
            "density": 3.5279574473288946,
            "density_atomic": 0.06215215599910282,
            "volume": 1254.9846219514243,
            "volume_molar": 9.68935133977803,
            "formula_full": "K18 Tb6 Si12 O42",
            "formula_reduced": "K3TbSi2O7",
            "formula_anonymous": "AB2C3D7",
            "energy": -560.9013235900001,
            "energy_per_atom": -7.191042610128206,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.04732359,
            "band_gap": 3.688,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0056939,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:41.407000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-1221065",
            "created_at": "2022-09-04T14:39:22.896595Z",
            "structure_string": "Nd8 Sc6 Fe50 B4\n1.0\n8.901979 0.015894 0.000000\n0.015894 8.901979 0.000000\n0.000000 0.000000 12.247421\nNd Sc Fe B\n8 6 50 4\ndirect\n0.237171 0.762829 0.499157 Nd\n0.762829 0.237171 0.499157 Nd\n0.264845 0.264845 0.006033 Nd\n0.735155 0.735155 0.006033 Nd\n0.643338 0.643338 0.492632 Nd\n0.356662 0.356662 0.492632 Nd\n0.856582 0.143418 0.001202 Nd\n0.143418 0.856582 0.001202 Nd\n0.183146 0.816854 0.254308 Sc\n0.816854 0.183146 0.254308 Sc\n0.317840 0.317840 0.753772 Sc\n0.682160 0.682160 0.753772 Sc\n0.817623 0.182376 0.745941 Sc\n0.182376 0.817623 0.745941 Sc\n0.403313 0.596687 0.292750 Fe\n0.596687 0.403313 0.292750 Fe\n0.101689 0.101689 0.793827 Fe\n0.898311 0.898311 0.793827 Fe\n0.601882 0.398118 0.707063 Fe\n0.398118 0.601882 0.707063 Fe\n0.895615 0.895615 0.207196 Fe\n0.104385 0.104385 0.207196 Fe\n0.140611 0.530201 0.323930 Fe\n0.859389 0.469799 0.323930 Fe\n0.365159 0.034758 0.825196 Fe\n0.634841 0.965242 0.825196 Fe\n0.865426 0.465288 0.673826 Fe\n0.134574 0.534712 0.673826 Fe\n0.635324 0.961467 0.177104 Fe\n0.364676 0.038533 0.177104 Fe\n0.530201 0.140611 0.323930 Fe\n0.469799 0.859389 0.323930 Fe\n0.034758 0.365159 0.825196 Fe\n0.965242 0.634841 0.825196 Fe\n0.465288 0.865426 0.673826 Fe\n0.534712 0.134574 0.673826 Fe\n0.961467 0.635324 0.177104 Fe\n0.038533 0.364676 0.177104 Fe\n0.931345 0.724223 0.373697 Fe\n0.068655 0.275777 0.373697 Fe\n0.565436 0.224914 0.876397 Fe\n0.434564 0.775086 0.876397 Fe\n0.065985 0.275181 0.623777 Fe\n0.934015 0.724819 0.623777 Fe\n0.437969 0.774057 0.126423 Fe\n0.562031 0.225943 0.126423 Fe\n0.724223 0.931345 0.373697 Fe\n0.275777 0.068655 0.373697 Fe\n0.224914 0.565436 0.876397 Fe\n0.775086 0.434564 0.876397 Fe\n0.275181 0.065985 0.623777 Fe\n0.724819 0.934015 0.623777 Fe\n0.774057 0.437969 0.126423 Fe\n0.225943 0.562031 0.126423 Fe\n0.000000 0.500000 0.497694 Fe\n0.500000 0.000000 0.001301 Fe\n0.500000 0.000000 0.497694 Fe\n0.000000 0.500000 0.001301 Fe\n0.683991 0.683991 0.245491 Fe\n0.316009 0.316009 0.245491 Fe\n0.500000 0.500000 0.112201 Fe\n0.000000 0.000000 0.612008 Fe\n0.500000 0.500000 0.889167 Fe\n0.000000 0.000000 0.387357 Fe\n0.875804 0.875804 0.499514 B\n0.124196 0.124196 0.499514 B\n0.625369 0.374631 0.001049 B\n0.374631 0.625369 0.001049 B\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Nd",
                "Sc",
                "Fe",
                "B"
            ],
            "chemical_system": "B-Fe-Nd-Sc",
            "density": 7.287141746846536,
            "density_atomic": 0.07006361146578234,
            "volume": 970.5466015437961,
            "volume_molar": 8.595247424465255,
            "formula_full": "Nd8 Sc6 Fe50 B4",
            "formula_reduced": "Nd4Sc3Fe25B2",
            "formula_anonymous": "A2B3C4D25",
            "energy": -532.09399916,
            "energy_per_atom": -7.82491175235294,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.09399916,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 98.2455564,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:41.539000Z",
            "spacegroup": 35
        },
        {
            "id": "mp-1198726",
            "created_at": "2022-09-04T14:46:11.040265Z",
            "structure_string": "Li8 B48 H48\n1.0\n9.639681 0.000000 0.000000\n0.000000 9.639681 0.000000\n0.000000 0.000000 9.639681\nLi B H\n8 48 48\ndirect\n0.859015 0.140985 0.640985 Li\n0.140985 0.640985 0.859015 Li\n0.640985 0.859015 0.140985 Li\n0.359015 0.359015 0.359015 Li\n0.140985 0.859015 0.359015 Li\n0.859015 0.359015 0.140985 Li\n0.359015 0.140985 0.859015 Li\n0.640985 0.640985 0.640985 Li\n0.378950 0.409739 0.911646 B\n0.621050 0.909739 0.588354 B\n0.121050 0.590261 0.411646 B\n0.878950 0.090261 0.088354 B\n0.911646 0.378950 0.409739 B\n0.588354 0.621050 0.909739 B\n0.411646 0.121050 0.590261 B\n0.088354 0.878950 0.090261 B\n0.409739 0.911646 0.378950 B\n0.909739 0.588354 0.621050 B\n0.590261 0.411646 0.121050 B\n0.090261 0.088354 0.878950 B\n0.621050 0.590261 0.088354 B\n0.378950 0.090261 0.411646 B\n0.878950 0.409739 0.588354 B\n0.121050 0.909739 0.911646 B\n0.088354 0.621050 0.590261 B\n0.411646 0.378950 0.090261 B\n0.588354 0.878950 0.409739 B\n0.911646 0.121050 0.909739 B\n0.590261 0.088354 0.621050 B\n0.090261 0.411646 0.378950 B\n0.409739 0.588354 0.878950 B\n0.909739 0.911646 0.121050 B\n0.667516 0.463615 0.962522 B\n0.332484 0.963615 0.537478 B\n0.832484 0.536385 0.462522 B\n0.167516 0.036385 0.037478 B\n0.962522 0.667516 0.463615 B\n0.537478 0.332484 0.963615 B\n0.462522 0.832484 0.536385 B\n0.037478 0.167516 0.036385 B\n0.463615 0.962522 0.667516 B\n0.963615 0.537478 0.332484 B\n0.536385 0.462522 0.832484 B\n0.036385 0.037478 0.167516 B\n0.332484 0.536385 0.037478 B\n0.667516 0.036385 0.462522 B\n0.167516 0.463615 0.537478 B\n0.832484 0.963615 0.962522 B\n0.037478 0.332484 0.536385 B\n0.462522 0.667516 0.036385 B\n0.537478 0.167516 0.463615 B\n0.962522 0.832484 0.963615 B\n0.536385 0.037478 0.332484 B\n0.036385 0.462522 0.667516 B\n0.463615 0.537478 0.167516 B\n0.963615 0.962522 0.832484 B\n0.292162 0.346836 0.847509 H\n0.707838 0.846836 0.652491 H\n0.207838 0.653164 0.347509 H\n0.792162 0.153164 0.152491 H\n0.847509 0.292162 0.346836 H\n0.652491 0.707838 0.846836 H\n0.347509 0.207838 0.653164 H\n0.152491 0.792162 0.153164 H\n0.346836 0.847509 0.292162 H\n0.846836 0.652491 0.707838 H\n0.653164 0.347509 0.207838 H\n0.153164 0.152491 0.792162 H\n0.707838 0.653164 0.152491 H\n0.292162 0.153164 0.347509 H\n0.792162 0.346836 0.652491 H\n0.207838 0.846836 0.847509 H\n0.152491 0.707838 0.653164 H\n0.347509 0.292162 0.153164 H\n0.652491 0.792162 0.346836 H\n0.847509 0.207838 0.846836 H\n0.653164 0.152491 0.707838 H\n0.153164 0.347509 0.292162 H\n0.346836 0.652491 0.792162 H\n0.846836 0.847509 0.207838 H\n0.787233 0.439257 0.935086 H\n0.212767 0.939257 0.564914 H\n0.712767 0.560743 0.435086 H\n0.287233 0.060743 0.064914 H\n0.935086 0.787233 0.439257 H\n0.564914 0.212767 0.939257 H\n0.435086 0.712767 0.560743 H\n0.064914 0.287233 0.060743 H\n0.439257 0.935086 0.787233 H\n0.939257 0.564914 0.212767 H\n0.560743 0.435086 0.712767 H\n0.060743 0.064914 0.287233 H\n0.212767 0.560743 0.064914 H\n0.787233 0.060743 0.435086 H\n0.287233 0.439257 0.564914 H\n0.712767 0.939257 0.935086 H\n0.064914 0.212767 0.560743 H\n0.435086 0.787233 0.060743 H\n0.564914 0.287233 0.439257 H\n0.935086 0.712767 0.939257 H\n0.560743 0.064914 0.212767 H\n0.060743 0.435086 0.787233 H\n0.439257 0.564914 0.287233 H\n0.939257 0.935086 0.712767 H\n",
            "nsites": 104,
            "nelements": 3,
            "elements": [
                "Li",
                "B",
                "H"
            ],
            "chemical_system": "B-H-Li",
            "density": 1.1546107546172208,
            "density_atomic": 0.11610351080722865,
            "volume": 895.7524133156955,
            "volume_molar": 5.186872229900787,
            "formula_full": "Li8 B48 H48",
            "formula_reduced": "Li(BH)6",
            "formula_anonymous": "AB6C6",
            "energy": -540.69510882,
            "energy_per_atom": -5.198991430961538,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.10310882,
            "band_gap": 5.6126000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.003503,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:14.064000Z",
            "spacegroup": 205
        },
        {
            "id": "mp-759126",
            "created_at": "2022-09-04T14:40:37.785834Z",
            "structure_string": "Li8 Mn8 P12 O48\n1.0\n8.540052 0.000000 0.000000\n-0.056416 8.594047 0.000000\n-0.234540 -0.021404 12.317173\nLi Mn P O\n8 8 12 48\ndirect\n0.228679 0.771694 0.814124 Li\n0.280985 0.220089 0.320280 Li\n0.283995 0.272318 0.687357 Li\n0.696135 0.735788 0.308322 Li\n0.779051 0.282185 0.821475 Li\n0.780092 0.226513 0.186652 Li\n0.924539 0.918941 0.704872 Li\n0.952786 0.579972 0.282726 Li\n0.251869 0.460063 0.887435 Mn\n0.250300 0.031309 0.114588 Mn\n0.255274 0.959711 0.609768 Mn\n0.257169 0.540368 0.384780 Mn\n0.749679 0.466157 0.616432 Mn\n0.751856 0.040189 0.388121 Mn\n0.743234 0.960223 0.888859 Mn\n0.747696 0.539166 0.105537 Mn\n0.038620 0.252274 0.502772 P\n0.106932 0.393037 0.148055 P\n0.103886 0.102684 0.861025 P\n0.398526 0.603387 0.640003 P\n0.395276 0.894223 0.349048 P\n0.460786 0.752305 0.001254 P\n0.534179 0.246332 0.001837 P\n0.608047 0.105536 0.649344 P\n0.611976 0.396919 0.362694 P\n0.899959 0.609266 0.848869 P\n0.896944 0.897293 0.142174 P\n0.957306 0.745984 0.498235 P\n0.057379 0.645521 0.420813 O\n0.051007 0.855614 0.575375 O\n0.080070 0.600672 0.836849 O\n0.077597 0.899049 0.154050 O\n0.151645 0.070235 0.978438 O\n0.155133 0.438432 0.036426 O\n0.146118 0.159800 0.582871 O\n0.149595 0.342164 0.424086 O\n0.160620 0.265643 0.823991 O\n0.158293 0.225715 0.180841 O\n0.160267 0.977254 0.782050 O\n0.169170 0.511007 0.236305 O\n0.323976 0.484348 0.714763 O\n0.320453 0.011431 0.266336 O\n0.356105 0.722517 0.320547 O\n0.343962 0.769453 0.673990 O\n0.353760 0.659486 0.921606 O\n0.354090 0.844660 0.076931 O\n0.351432 0.572600 0.520594 O\n0.339592 0.945906 0.458669 O\n0.427855 0.098146 0.663656 O\n0.429963 0.398598 0.341715 O\n0.442803 0.353559 0.925531 O\n0.439347 0.140908 0.076067 O\n0.558518 0.649557 0.077684 O\n0.556294 0.854317 0.922193 O\n0.579559 0.603548 0.653490 O\n0.575578 0.908819 0.338465 O\n0.657181 0.061112 0.536990 O\n0.645959 0.420374 0.483834 O\n0.644717 0.156792 0.923081 O\n0.644687 0.337497 0.081127 O\n0.659773 0.274642 0.682119 O\n0.661427 0.232682 0.324589 O\n0.692174 0.990533 0.729538 O\n0.697095 0.518740 0.294344 O\n0.823116 0.490035 0.767446 O\n0.822579 0.015760 0.216959 O\n0.855509 0.780324 0.820862 O\n0.847451 0.728411 0.179079 O\n0.855709 0.653276 0.577434 O\n0.847772 0.833416 0.418411 O\n0.845450 0.560121 0.959302 O\n0.846083 0.924154 0.023523 O\n0.920668 0.105484 0.847403 O\n0.923829 0.403391 0.161682 O\n0.941197 0.356958 0.575581 O\n0.945020 0.143411 0.426702 O\n",
            "nsites": 76,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "P",
                "O"
            ],
            "chemical_system": "Li-Mn-O-P",
            "density": 3.0027202869718015,
            "density_atomic": 0.08407063183785614,
            "volume": 904.0017701612894,
            "volume_molar": 7.16319198315849,
            "formula_full": "Li8 Mn8 P12 O48",
            "formula_reduced": "Li2Mn2(PO4)3",
            "formula_anonymous": "A2B2C3D12",
            "energy": -578.4614390500001,
            "energy_per_atom": -7.611334724342107,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.14143905,
            "band_gap": 0.3269999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.0000001,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:59.069000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1101527",
            "created_at": "2022-09-04T14:45:53.887638Z",
            "structure_string": "Li2 Cr8 P14 O48\n1.0\n10.174807 0.000000 0.000000\n-2.663292 9.910630 0.000000\n-3.948944 -4.555218 8.864975\nLi Cr P O\n2 8 14 48\ndirect\n0.594548 0.223692 0.629100 Li\n0.405452 0.776308 0.370900 Li\n0.500960 0.899539 0.747023 Cr\n0.002966 0.388449 0.075761 Cr\n0.511088 0.663467 0.885768 Cr\n0.984023 0.829263 0.411819 Cr\n0.015977 0.170737 0.588181 Cr\n0.488912 0.336533 0.114232 Cr\n0.997034 0.611551 0.924239 Cr\n0.499040 0.100461 0.252977 Cr\n0.770970 0.779173 0.774009 P\n0.191891 0.627266 0.433397 P\n0.196327 0.937529 0.258628 P\n0.262865 0.036934 0.758439 P\n0.252205 0.392453 0.522848 P\n0.734665 0.179993 0.118597 P\n0.748048 0.541464 0.052695 P\n0.251952 0.458536 0.947305 P\n0.265335 0.820007 0.881403 P\n0.747795 0.607547 0.477152 P\n0.737135 0.963066 0.241561 P\n0.803673 0.062471 0.741372 P\n0.808109 0.372734 0.566603 P\n0.229030 0.220827 0.225991 P\n0.867394 0.210961 0.876752 O\n0.622528 0.987729 0.659274 O\n0.641975 0.065277 0.954663 O\n0.115457 0.259475 0.128264 O\n0.368641 0.733695 0.532177 O\n0.166571 0.569358 0.272285 O\n0.653788 0.569132 0.922056 O\n0.633604 0.781983 0.802373 O\n0.375039 0.008761 0.700675 O\n0.156510 0.483682 0.469689 O\n0.311287 0.339765 0.401345 O\n0.140001 0.056632 0.204514 O\n0.144205 0.928875 0.371248 O\n0.395860 0.495148 0.672324 O\n0.874189 0.502029 0.011540 O\n0.086543 0.697178 0.463099 O\n0.871650 0.319958 0.161167 O\n0.338511 0.175029 0.906103 O\n0.185073 0.893957 0.781094 O\n0.145711 0.247406 0.504127 O\n0.119549 0.026207 0.627009 O\n0.376214 0.779460 0.819334 O\n0.364748 0.595330 0.952803 O\n0.835448 0.677824 0.207611 O\n0.164552 0.322176 0.792389 O\n0.635252 0.404670 0.047197 O\n0.623786 0.220540 0.180666 O\n0.880451 0.973793 0.372991 O\n0.854289 0.752594 0.495873 O\n0.814927 0.106043 0.218906 O\n0.661489 0.824971 0.093897 O\n0.128350 0.680042 0.838833 O\n0.913457 0.302822 0.536901 O\n0.125811 0.497971 0.988460 O\n0.604140 0.504852 0.327676 O\n0.855795 0.071125 0.628752 O\n0.859999 0.943368 0.795486 O\n0.688713 0.660235 0.598655 O\n0.843490 0.516318 0.530311 O\n0.624961 0.991239 0.299325 O\n0.366396 0.218017 0.197627 O\n0.346212 0.430868 0.077944 O\n0.833429 0.430642 0.727715 O\n0.631359 0.266305 0.467823 O\n0.884543 0.740525 0.871736 O\n0.358025 0.934723 0.045337 O\n0.377472 0.012271 0.340726 O\n0.132606 0.789039 0.123248 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Li",
                "Cr",
                "P",
                "O"
            ],
            "chemical_system": "Cr-Li-O-P",
            "density": 3.030533927634023,
            "density_atomic": 0.08054295116621502,
            "volume": 893.9329756047171,
            "volume_molar": 7.476930845968407,
            "formula_full": "Li2 Cr8 P14 O48",
            "formula_reduced": "LiCr4P7O24",
            "formula_anonymous": "AB4C7D24",
            "energy": -581.17652312,
            "energy_per_atom": -8.071896154444444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.20852312,
            "band_gap": 2.1691,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 24.0000001,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:08.510000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-16595",
            "created_at": "2022-09-04T14:41:34.255340Z",
            "structure_string": "K18 Dy6 Si12 O42\n1.0\n4.979442 -8.624647 0.000000\n4.979442 8.624647 0.000000\n0.000000 0.000000 14.496242\nK Dy Si O\n18 6 12 42\ndirect\n0.000000 0.000000 0.500000 K\n0.332001 0.000000 0.091621 K\n0.332001 0.332001 0.591621 K\n0.000000 0.667999 0.591621 K\n0.000000 0.332001 0.091621 K\n0.667999 0.667999 0.091621 K\n0.332001 0.000000 0.408379 K\n0.000000 0.000000 0.000000 K\n0.333333 0.666667 0.750000 K\n0.666667 0.333333 0.250000 K\n0.666667 0.333333 0.750000 K\n0.333333 0.666667 0.250000 K\n0.667999 0.667999 0.408379 K\n0.667999 0.000000 0.908379 K\n0.000000 0.667999 0.908379 K\n0.000000 0.332001 0.408379 K\n0.667999 0.000000 0.591621 K\n0.332001 0.332001 0.908379 K\n0.000000 0.000000 0.750000 Dy\n0.333333 0.666667 0.000000 Dy\n0.666667 0.333333 0.500000 Dy\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.500000 Dy\n0.000000 0.000000 0.250000 Dy\n0.658443 0.658443 0.857189 Si\n0.341557 0.000000 0.857189 Si\n0.000000 0.341557 0.857189 Si\n0.000000 0.658443 0.357189 Si\n0.341557 0.000000 0.642811 Si\n0.341557 0.341557 0.357189 Si\n0.658443 0.000000 0.357189 Si\n0.341557 0.341557 0.142811 Si\n0.000000 0.658443 0.142811 Si\n0.000000 0.341557 0.642811 Si\n0.658443 0.658443 0.642811 Si\n0.658443 0.000000 0.142811 Si\n0.407907 0.000000 0.750000 O\n0.407907 0.407907 0.250000 O\n0.000000 0.592093 0.250000 O\n0.000000 0.407907 0.750000 O\n0.592093 0.592093 0.750000 O\n0.592093 0.000000 0.250000 O\n0.822787 0.822787 0.852049 O\n0.177213 0.000000 0.852049 O\n0.000000 0.177213 0.852049 O\n0.000000 0.822787 0.352049 O\n0.177213 0.000000 0.647951 O\n0.177213 0.177213 0.352049 O\n0.822787 0.000000 0.352049 O\n0.177213 0.177213 0.147951 O\n0.000000 0.822787 0.147951 O\n0.000000 0.177213 0.647951 O\n0.822787 0.822787 0.647951 O\n0.822787 0.000000 0.147951 O\n0.321891 0.844552 0.908305 O\n0.155448 0.477340 0.908305 O\n0.522660 0.678109 0.908305 O\n0.477340 0.321891 0.408305 O\n0.678109 0.522660 0.591695 O\n0.678109 0.155448 0.408305 O\n0.844552 0.522660 0.408305 O\n0.155448 0.678109 0.091695 O\n0.522660 0.844552 0.091695 O\n0.477340 0.155448 0.591695 O\n0.844552 0.321891 0.591695 O\n0.321891 0.477340 0.091695 O\n0.678109 0.155448 0.091695 O\n0.844552 0.522660 0.091695 O\n0.477340 0.321891 0.091695 O\n0.522660 0.678109 0.591695 O\n0.321891 0.477340 0.408305 O\n0.321891 0.844552 0.591695 O\n0.678109 0.522660 0.908305 O\n0.155448 0.678109 0.408305 O\n0.522660 0.844552 0.408305 O\n0.477340 0.155448 0.908305 O\n0.844552 0.321891 0.908305 O\n0.155448 0.477340 0.591695 O\n",
            "nsites": 78,
            "nelements": 4,
            "elements": [
                "K",
                "Dy",
                "Si",
                "O"
            ],
            "chemical_system": "Dy-K-O-Si",
            "density": 3.5845430360622514,
            "density_atomic": 0.0626451090577071,
            "volume": 1245.1091740960715,
            "volume_molar": 9.613106035863959,
            "formula_full": "K18 Dy6 Si12 O42",
            "formula_reduced": "K3DySi2O7",
            "formula_anonymous": "AB2C3D7",
            "energy": -561.07992018,
            "energy_per_atom": -7.193332310000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.22592018,
            "band_gap": 3.7064,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0026777,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:26.306000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-1639590",
            "created_at": "2022-09-04T14:48:12.869541Z",
            "structure_string": "Mg40 Fe4 O44\n1.0\n-2.139108 -4.259636 -2.135670\n21.365631 -12.768164 4.276064\n-2.136760 -0.002151 6.409021\nMg Fe O\n40 4 44\ndirect\n0.862174 0.045595 0.588841 Mg\n0.615407 0.295447 0.341402 Mg\n0.361188 0.545060 0.090782 Mg\n0.112075 0.795546 0.838897 Mg\n0.748169 0.249914 0.749525 Mg\n0.502385 0.500268 0.500087 Mg\n0.251579 0.749973 0.251996 Mg\n0.001469 0.999988 0.002123 Mg\n0.295196 0.068266 0.388655 Mg\n0.044320 0.318503 0.136215 Mg\n0.795224 0.568144 0.886941 Mg\n0.545356 0.818285 0.638546 Mg\n0.319067 0.226868 0.954779 Mg\n0.068507 0.477265 0.703747 Mg\n0.818506 0.727261 0.452399 Mg\n0.568372 0.977281 0.202456 Mg\n0.727048 0.091096 0.183780 Mg\n0.478621 0.340972 0.932061 Mg\n0.227128 0.590680 0.681831 Mg\n0.977042 0.841160 0.433725 Mg\n0.885197 0.204365 0.158438 Mg\n0.636445 0.454720 0.908926 Mg\n0.386509 0.704403 0.657615 Mg\n0.136574 0.954405 0.407210 Mg\n0.591439 0.136310 0.772867 Mg\n0.342014 0.385937 0.523078 Mg\n0.094321 0.636093 0.273479 Mg\n0.841521 0.886291 0.022832 Mg\n0.021240 0.159676 0.567781 Mg\n0.769459 0.409244 0.317410 Mg\n0.522552 0.659008 0.068162 Mg\n0.272119 0.909280 0.818130 Mg\n0.161175 0.113635 0.977045 Mg\n0.910849 0.364069 0.726524 Mg\n0.661824 0.614048 0.479278 Mg\n0.411678 0.863688 0.227464 Mg\n0.452045 0.181332 0.363949 Mg\n0.202353 0.431316 0.112031 Mg\n0.952618 0.681770 0.863809 Mg\n0.701921 0.931851 0.613442 Mg\n0.931991 0.522685 0.295495 Fe\n0.681869 0.772715 0.045537 Fe\n0.431899 0.022794 0.795421 Fe\n0.181948 0.272776 0.545483 Fe\n0.931856 0.022802 0.295404 O\n0.681738 0.272713 0.045510 O\n0.431803 0.522660 0.795426 O\n0.181888 0.772755 0.545413 O\n0.248866 0.250112 0.247973 O\n0.000681 0.499156 0.993097 O\n0.751789 0.749295 0.743442 O\n0.502016 0.999279 0.493136 O\n0.361583 0.046253 0.097782 O\n0.114700 0.295238 0.842925 O\n0.862946 0.546198 0.597691 O\n0.611856 0.796264 0.347589 O\n0.797027 0.068219 0.887060 O\n0.556289 0.319179 0.638749 O\n0.305747 0.569285 0.388705 O\n0.046979 0.818129 0.136889 O\n0.807392 0.226179 0.452068 O\n0.558013 0.476019 0.201920 O\n0.316645 0.727409 0.954117 O\n0.066463 0.977403 0.704140 O\n0.658103 0.113443 0.478204 O\n0.407488 0.363220 0.226756 O\n0.160448 0.613506 0.978106 O\n0.908588 0.863685 0.728001 O\n0.954841 0.181999 0.864401 O\n0.703616 0.432054 0.612412 O\n0.456370 0.681998 0.362732 O\n0.205056 0.931879 0.113010 O\n0.220788 0.092472 0.678752 O\n0.973506 0.342427 0.427850 O\n0.727945 0.590838 0.181745 O\n0.471283 0.842352 0.929093 O\n0.390152 0.203211 0.662880 O\n0.135992 0.454456 0.409252 O\n0.892337 0.702917 0.162103 O\n0.642403 0.953188 0.911929 O\n0.522694 0.158798 0.068183 O\n0.272698 0.408448 0.816061 O\n0.024199 0.658805 0.568570 O\n0.774137 0.908820 0.318383 O\n0.089665 0.136842 0.272483 O\n0.840810 0.386527 0.022516 O\n0.590697 0.636808 0.774772 O\n0.339507 0.886783 0.522572 O\n",
            "nsites": 88,
            "nelements": 3,
            "elements": [
                "Mg",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Mg-O",
            "density": 3.686654620720613,
            "density_atomic": 0.10285241068795094,
            "volume": 855.5949190825249,
            "volume_molar": 5.855128450290655,
            "formula_full": "Mg40 Fe4 O44",
            "formula_reduced": "Mg10FeO11",
            "formula_anonymous": "AB10C11",
            "energy": -571.51946499,
            "energy_per_atom": -6.494539374886363,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.26746499,
            "band_gap": 3.274800000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 16.0001161,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:46.992000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-753206",
            "created_at": "2022-09-04T14:43:10.026658Z",
            "structure_string": "Mg40 Fe4 O44\n1.0\n-2.138609 6.401492 -4.271035\n6.409545 -6.399650 -8.536155\n-8.556104 -2.136811 -2.138975\nMg Fe O\n40 4 44\ndirect\n0.158797 0.204825 0.862803 Mg\n0.910333 0.455263 0.362615 Mg\n0.660214 0.705001 0.864130 Mg\n0.408837 0.954666 0.364305 Mg\n0.500221 0.499602 0.000788 Mg\n0.250333 0.749986 0.499379 Mg\n0.998787 0.999554 0.999603 Mg\n0.748833 0.249266 0.500970 Mg\n0.362557 0.181060 0.544510 Mg\n0.112577 0.430821 0.045260 Mg\n0.862621 0.680839 0.545434 Mg\n0.612621 0.931014 0.044662 Mg\n0.296528 0.523524 0.319125 Mg\n0.046458 0.773523 0.818994 Mg\n0.796445 0.023785 0.318238 Mg\n0.546515 0.273665 0.818312 Mg\n0.317163 0.408253 0.726936 Mg\n0.067378 0.659134 0.227607 Mg\n0.817266 0.909143 0.727772 Mg\n0.567206 0.158251 0.227081 Mg\n0.342017 0.296307 0.136687 Mg\n0.091863 0.546257 0.636562 Mg\n0.841595 0.795369 0.135895 Mg\n0.591977 0.045444 0.635994 Mg\n0.977461 0.113510 0.592526 Mg\n0.727533 0.363752 0.091492 Mg\n0.477780 0.613717 0.591401 Mg\n0.227584 0.863541 0.092374 Mg\n0.181353 0.090814 0.272287 Mg\n0.931553 0.340833 0.772107 Mg\n0.681765 0.591020 0.271156 Mg\n0.431418 0.841061 0.771258 Mg\n0.522031 0.386933 0.410239 Mg\n0.271318 0.636670 0.908660 Mg\n0.021011 0.886800 0.408665 Mg\n0.771754 0.137070 0.910360 Mg\n0.137013 0.317579 0.453341 Mg\n0.887309 0.567463 0.953308 Mg\n0.638109 0.817750 0.454916 Mg\n0.387791 0.067844 0.955009 Mg\n0.954517 0.227268 0.181841 Fe\n0.704613 0.477295 0.681774 Fe\n0.204472 0.977228 0.681838 Fe\n0.454621 0.727327 0.181800 Fe\n0.329520 0.352204 0.931761 O\n0.079827 0.602561 0.431878 O\n0.829465 0.852239 0.931871 O\n0.579269 0.102086 0.431750 O\n0.129617 0.378760 0.251815 O\n0.879950 0.628553 0.751017 O\n0.626170 0.875456 0.250888 O\n0.376014 0.125553 0.751593 O\n0.529504 0.325785 0.611783 O\n0.283230 0.578817 0.111896 O\n0.032718 0.829246 0.612898 O\n0.779070 0.076025 0.112659 O\n0.982938 0.059017 0.799030 O\n0.737969 0.306971 0.296517 O\n0.487820 0.556803 0.796449 O\n0.233056 0.808950 0.298791 O\n0.171271 0.147814 0.067306 O\n0.921276 0.397545 0.566921 O\n0.675942 0.645390 0.064689 O\n0.426237 0.895714 0.564870 O\n0.147812 0.261102 0.658869 O\n0.898853 0.510759 0.159051 O\n0.648549 0.760608 0.659327 O\n0.397563 0.011012 0.159095 O\n0.511272 0.443397 0.204810 O\n0.261481 0.693568 0.704497 O\n0.010409 0.943903 0.204313 O\n0.760275 0.193793 0.704579 O\n0.192908 0.035090 0.473490 O\n0.943477 0.285544 0.972625 O\n0.693665 0.534769 0.472079 O\n0.442799 0.784401 0.972922 O\n0.965538 0.169697 0.391625 O\n0.715486 0.419047 0.890911 O\n0.466316 0.669437 0.390102 O\n0.216116 0.920195 0.890804 O\n0.307133 0.466004 0.523896 O\n0.057793 0.716027 0.023633 O\n0.807609 0.965924 0.523356 O\n0.556845 0.215873 0.023639 O\n0.352015 0.238552 0.339734 O\n0.102252 0.488672 0.839952 O\n0.851578 0.738630 0.340246 O\n0.601256 0.988472 0.840037 O\n",
            "nsites": 88,
            "nelements": 3,
            "elements": [
                "Mg",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-Mg-O",
            "density": 3.67889612055728,
            "density_atomic": 0.1026359595887249,
            "volume": 857.3993009138998,
            "volume_molar": 5.867476451851251,
            "formula_full": "Mg40 Fe4 O44",
            "formula_reduced": "Mg10FeO11",
            "formula_anonymous": "AB10C11",
            "energy": -571.52123206,
            "energy_per_atom": -6.4945594552272725,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -532.26923206,
            "band_gap": 3.2225,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0021953,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:12.386000Z",
            "spacegroup": 2
        }
    ]
}