GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12153
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=-formation_energy_per_atom&page=12154",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12152",
    "results": [
        {
            "id": "mp-1112616",
            "created_at": "2022-09-04T14:44:47.516674Z",
            "structure_string": "Cs2 Al1 Hg1 Cl6\n1.0\n0.000000 5.328864 5.328864\n5.328864 0.000000 5.328864\n5.328864 5.328864 0.000000\nCs Al Hg Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Hg\n0.777751 0.222249 0.222249 Cl\n0.222249 0.222249 0.777751 Cl\n0.222249 0.777751 0.777751 Cl\n0.222249 0.777751 0.222249 Cl\n0.777751 0.222249 0.777751 Cl\n0.777751 0.777751 0.222249 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "Al",
                "Hg",
                "Cl"
            ],
            "chemical_system": "Al-Cl-Cs-Hg",
            "density": 3.8741967783392433,
            "density_atomic": 0.03304198232741416,
            "volume": 302.6452802047301,
            "volume_molar": 18.225724777425267,
            "formula_full": "Cs2 Al1 Hg1 Cl6",
            "formula_reduced": "Cs2AlHgCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -35.1886237,
            "energy_per_atom": -3.51886237,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -31.5046237,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0105372,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:44.281000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-13314",
            "created_at": "2022-09-04T14:44:47.772461Z",
            "structure_string": "Sc1 Tl1 Te2\n1.0\n8.236074 -2.135084 0.000000\n8.236074 2.135084 0.000000\n7.682584 0.000000 3.656418\nSc Tl Te\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Tl\n0.734094 0.734094 0.734094 Te\n0.265906 0.265906 0.265906 Te\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Sc",
                "Tl",
                "Te"
            ],
            "chemical_system": "Sc-Te-Tl",
            "density": 6.515128443093215,
            "density_atomic": 0.031105626388734105,
            "volume": 128.5940990228291,
            "volume_molar": 19.360294130521385,
            "formula_full": "Sc1 Tl1 Te2",
            "formula_reduced": "ScTlTe2",
            "formula_anonymous": "ABC2",
            "energy": -19.508091160000003,
            "energy_per_atom": -4.877022790000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -18.66409116,
            "band_gap": 0.0445999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.8e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:44.867000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1105161",
            "created_at": "2022-09-04T14:44:48.400948Z",
            "structure_string": "Tl1 Cu2 Se2 O10\n1.0\n3.141260 4.920350 0.000000\n-3.141260 4.920350 0.000000\n0.000000 4.439010 7.670740\nTl Cu Se O\n1 2 2 10\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.062580 0.062580 0.731404 Se\n0.937420 0.937420 0.268596 Se\n0.170324 0.170324 0.827573 O\n0.829676 0.829676 0.172427 O\n0.168021 0.168021 0.517858 O\n0.831979 0.831979 0.482142 O\n0.720329 0.170459 0.789744 O\n0.170459 0.720329 0.789744 O\n0.279671 0.829541 0.210256 O\n0.829541 0.279671 0.210256 O\n0.686304 0.686304 0.956604 O\n0.313696 0.313696 0.043396 O\n",
            "nsites": 15,
            "nelements": 4,
            "elements": [
                "Tl",
                "Cu",
                "Se",
                "O"
            ],
            "chemical_system": "Cu-O-Se-Tl",
            "density": 4.547650567326445,
            "density_atomic": 0.0632592618631026,
            "volume": 237.1194281789287,
            "volume_molar": 9.51977715616146,
            "formula_full": "Tl1 Cu2 Se2 O10",
            "formula_reduced": "TlCu2(SeO5)2",
            "formula_anonymous": "AB2C2D10",
            "energy": -81.20960309,
            "energy_per_atom": -5.413973539333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.33960309,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9969648,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:48.318000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1025077",
            "created_at": "2022-09-04T14:44:48.558089Z",
            "structure_string": "Tb2 Se4\n1.0\n4.085587 0.000000 0.000000\n0.000000 4.085587 0.000000\n0.000000 0.000000 8.386690\nTb Se\n2 4\ndirect\n0.000000 0.500000 0.274051 Tb\n0.500000 0.000000 0.725949 Tb\n0.500000 0.000000 0.369457 Se\n0.000000 0.500000 0.630543 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Tb",
                "Se"
            ],
            "chemical_system": "Se-Tb",
            "density": 7.516694760731928,
            "density_atomic": 0.042859957308565864,
            "volume": 139.9908067290785,
            "volume_molar": 14.050739053807765,
            "formula_full": "Tb2 Se4",
            "formula_reduced": "TbSe2",
            "formula_anonymous": "AB2",
            "energy": -34.55322189,
            "energy_per_atom": -5.758870315,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -32.66522189,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0026922,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:43.743000Z",
            "spacegroup": 129
        },
        {
            "id": "mp-1193403",
            "created_at": "2022-09-04T14:44:46.555513Z",
            "structure_string": "Mg2 As2 N2 O20\n1.0\n4.903302 0.000000 0.000000\n0.000000 6.108652 0.000000\n0.000000 0.000000 12.860126\nMg As N O\n2 2 2 20\ndirect\n0.981956 0.000000 0.113377 Mg\n0.018044 0.500000 0.613377 Mg\n0.554479 0.000000 0.713700 As\n0.445521 0.500000 0.213700 As\n0.043998 0.000000 0.492805 N\n0.956002 0.500000 0.992805 N\n0.738902 0.772840 0.793548 O\n0.738902 0.227160 0.793548 O\n0.261098 0.727160 0.293548 O\n0.261098 0.272840 0.293548 O\n0.238112 0.000000 0.761829 O\n0.761888 0.500000 0.261829 O\n0.639954 0.000000 0.589012 O\n0.360046 0.500000 0.089012 O\n0.038832 0.818620 0.252469 O\n0.038832 0.181380 0.252469 O\n0.961168 0.681380 0.752469 O\n0.961168 0.318620 0.752469 O\n0.865192 0.680573 0.013838 O\n0.865192 0.319427 0.013838 O\n0.134808 0.819427 0.513838 O\n0.134808 0.180573 0.513838 O\n0.560079 0.000000 0.135254 O\n0.439921 0.500000 0.635254 O\n0.379636 0.000000 0.057314 O\n0.620364 0.500000 0.557314 O\n",
            "nsites": 26,
            "nelements": 4,
            "elements": [
                "Mg",
                "As",
                "N",
                "O"
            ],
            "chemical_system": "As-Mg-N-O",
            "density": 2.355721428014161,
            "density_atomic": 0.06749849611103151,
            "volume": 385.19376723936716,
            "volume_molar": 8.92188879303902,
            "formula_full": "Mg2 As2 N2 O20",
            "formula_reduced": "MgAsNO10",
            "formula_anonymous": "ABCD10",
            "energy": -140.6999652,
            "energy_per_atom": -5.411537123076924,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -137.4799652,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9957827,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:43.421000Z",
            "spacegroup": 31
        },
        {
            "id": "mp-1197812",
            "created_at": "2022-09-04T14:44:46.709600Z",
            "structure_string": "K4 Hg4 H8 I12 O4\n1.0\n8.697245 0.000000 0.000000\n0.000000 9.641588 0.000000\n0.000000 0.000000 11.982071\nK Hg H I O\n4 4 8 12 4\ndirect\n0.556597 0.844866 0.569776 K\n0.443403 0.155134 0.069776 K\n0.943403 0.344866 0.069776 K\n0.056597 0.655134 0.569776 K\n0.245097 0.202976 0.427302 Hg\n0.754903 0.797024 0.927302 Hg\n0.254903 0.702976 0.927302 Hg\n0.745097 0.297024 0.427302 Hg\n0.935657 0.933160 0.497177 H\n0.064343 0.066840 0.997177 H\n0.564343 0.433160 0.997177 H\n0.435657 0.566840 0.497177 H\n0.899637 0.969398 0.619744 H\n0.100363 0.030602 0.119744 H\n0.600363 0.469398 0.119744 H\n0.399637 0.530602 0.619744 H\n0.236783 0.922097 0.364879 I\n0.763217 0.077903 0.864879 I\n0.263217 0.422097 0.864879 I\n0.736783 0.577903 0.364879 I\n0.263816 0.415078 0.270338 I\n0.736184 0.584922 0.770338 I\n0.236184 0.915078 0.770338 I\n0.763816 0.084922 0.270338 I\n0.503928 0.227056 0.584555 I\n0.496072 0.772944 0.084555 I\n0.996072 0.727056 0.084555 I\n0.003928 0.272944 0.584555 I\n0.877558 0.900155 0.562268 O\n0.122442 0.099845 0.062268 O\n0.622442 0.400155 0.062268 O\n0.377558 0.599845 0.562268 O\n",
            "nsites": 32,
            "nelements": 5,
            "elements": [
                "K",
                "Hg",
                "H",
                "I",
                "O"
            ],
            "chemical_system": "H-Hg-I-K-O",
            "density": 4.220378118135197,
            "density_atomic": 0.03184841443097207,
            "volume": 1004.7595954692338,
            "volume_molar": 18.9087616058637,
            "formula_full": "K4 Hg4 H8 I12 O4",
            "formula_reduced": "KHgH2I3O",
            "formula_anonymous": "ABCD2E3",
            "energy": -105.94616321,
            "energy_per_atom": -3.3108176003125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -98.65016321,
            "band_gap": 1.8557,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0036279,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:43.629000Z",
            "spacegroup": 33
        },
        {
            "id": "mp-862924",
            "created_at": "2022-09-04T14:44:46.912979Z",
            "structure_string": "Pm1 In1 Pd2\n1.0\n0.000000 3.458799 3.458799\n3.458799 0.000000 3.458799\n3.458799 3.458799 0.000000\nPm In Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 In\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Pm",
                "In",
                "Pd"
            ],
            "chemical_system": "In-Pd-Pm",
            "density": 9.483969323265308,
            "density_atomic": 0.048334142866904135,
            "volume": 82.75723459118011,
            "volume_molar": 12.459392890410692,
            "formula_full": "Pm1 In1 Pd2",
            "formula_reduced": "PmInPd2",
            "formula_anonymous": "ABC2",
            "energy": -20.85685255,
            "energy_per_atom": -5.2142131375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -20.85685255,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002143,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:41.574000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-763497",
            "created_at": "2022-09-04T14:44:47.806514Z",
            "structure_string": "Li4 V4 P12 O36\n1.0\n0.000964 0.000066 -7.069064\n5.177906 -8.969586 -0.000635\n-10.360651 -5.984295 2.357819\nLi V P O\n4 4 12 36\ndirect\n0.391902 0.499954 0.249869 Li\n0.142421 0.999945 0.499941 Li\n0.892330 0.499936 0.749940 Li\n0.642116 0.999951 0.000056 Li\n0.511925 0.999754 0.500034 V\n0.261646 0.500106 0.750047 V\n0.761484 0.500135 0.250092 V\n0.011746 0.999823 0.000053 V\n0.377176 0.286766 0.576533 P\n0.126788 0.786807 0.826316 P\n0.877180 0.286735 0.076674 P\n0.626645 0.786783 0.326216 P\n0.160541 0.280109 0.927150 P\n0.910337 0.779861 0.176707 P\n0.660300 0.280340 0.426996 P\n0.410289 0.779972 0.676677 P\n0.266662 0.933012 0.246706 P\n0.017434 0.433419 0.496518 P\n0.766715 0.933002 0.746716 P\n0.517414 0.433300 0.996550 P\n0.226984 0.376094 0.490525 O\n0.976454 0.876315 0.740649 O\n0.727038 0.376023 0.990678 O\n0.476405 0.876368 0.240417 O\n0.075987 0.320930 0.037284 O\n0.825233 0.821367 0.286557 O\n0.575974 0.321030 0.537177 O\n0.325268 0.821558 0.786572 O\n0.137280 0.802246 0.222267 O\n0.887084 0.303208 0.472493 O\n0.637260 0.802308 0.722259 O\n0.387369 0.302925 0.972560 O\n0.584181 0.376492 0.335995 O\n0.335286 0.875958 0.585500 O\n0.084920 0.376425 0.836359 O\n0.835290 0.875790 0.085446 O\n0.572248 0.647806 0.299402 O\n0.323976 0.147499 0.550289 O\n0.072573 0.647825 0.799609 O\n0.823917 0.147441 0.050490 O\n0.511718 0.476268 0.114119 O\n0.260759 0.975650 0.364319 O\n0.011823 0.476338 0.614060 O\n0.760929 0.975689 0.864409 O\n0.967098 0.526766 0.401978 O\n0.716162 0.026371 0.652308 O\n0.467040 0.526643 0.902037 O\n0.216097 0.026422 0.152289 O\n0.896327 0.335208 0.193637 O\n0.646462 0.834418 0.443411 O\n0.396240 0.335185 0.693455 O\n0.146512 0.834442 0.943557 O\n0.883499 0.638645 0.154305 O\n0.634133 0.139035 0.404731 O\n0.383284 0.638776 0.654249 O\n0.134171 0.138825 0.904815 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 2.2353851446231214,
            "density_atomic": 0.06393021974597822,
            "volume": 875.955068237082,
            "volume_molar": 9.419865572069844,
            "formula_full": "Li4 V4 P12 O36",
            "formula_reduced": "LiV(PO3)3",
            "formula_anonymous": "ABC3D9",
            "energy": -432.8605208,
            "energy_per_atom": -7.729652157142858,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -401.3285208,
            "band_gap": 2.604,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.1e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:45.089000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-1195199",
            "created_at": "2022-09-04T14:44:48.285304Z",
            "structure_string": "V8 Pb8 Se8 O40 F8\n1.0\n8.302270 0.000000 0.000000\n0.000000 13.231163 0.000000\n0.000000 0.000000 10.010495\nV Pb Se O F\n8 8 8 40 8\ndirect\n0.418511 0.096082 0.049679 V\n0.081489 0.903918 0.549679 V\n0.918511 0.403918 0.950321 V\n0.581489 0.596082 0.450321 V\n0.581489 0.903918 0.950321 V\n0.918511 0.096082 0.450321 V\n0.081489 0.596082 0.049679 V\n0.418511 0.403918 0.549679 V\n0.355217 0.828664 0.263404 Pb\n0.144783 0.171336 0.763404 Pb\n0.855217 0.671336 0.736596 Pb\n0.644783 0.328664 0.236596 Pb\n0.644783 0.171336 0.736596 Pb\n0.855217 0.828664 0.236596 Pb\n0.144783 0.328664 0.263404 Pb\n0.355217 0.671336 0.763404 Pb\n0.825071 0.089027 0.049584 Se\n0.674929 0.910973 0.549584 Se\n0.325071 0.410973 0.950416 Se\n0.174929 0.589027 0.450416 Se\n0.174929 0.910973 0.950416 Se\n0.325071 0.089027 0.450416 Se\n0.674929 0.589027 0.049584 Se\n0.825071 0.410973 0.549584 Se\n0.864746 0.108707 0.885252 O\n0.635254 0.891293 0.385252 O\n0.364746 0.391293 0.114748 O\n0.135254 0.608707 0.614748 O\n0.135254 0.891293 0.114748 O\n0.364746 0.108707 0.614748 O\n0.635254 0.608707 0.885252 O\n0.864746 0.391293 0.385252 O\n0.770528 0.959264 0.053264 O\n0.729472 0.040736 0.553264 O\n0.270528 0.540736 0.946736 O\n0.229472 0.459264 0.446736 O\n0.229472 0.040736 0.946736 O\n0.270528 0.959264 0.446736 O\n0.729472 0.459264 0.053264 O\n0.770528 0.540736 0.553264 O\n0.638126 0.151456 0.067413 O\n0.861874 0.848544 0.567413 O\n0.138126 0.348544 0.932587 O\n0.361874 0.651456 0.432587 O\n0.361874 0.848544 0.932587 O\n0.138126 0.151456 0.432587 O\n0.861874 0.651456 0.067413 O\n0.638126 0.348544 0.567413 O\n0.455200 0.982200 0.126142 O\n0.044800 0.017800 0.626142 O\n0.955200 0.517800 0.873858 O\n0.544800 0.482200 0.373858 O\n0.544800 0.017800 0.873858 O\n0.955200 0.982200 0.373858 O\n0.044800 0.482200 0.126142 O\n0.455200 0.517800 0.626142 O\n0.324198 0.166720 0.161462 O\n0.175802 0.833280 0.661462 O\n0.824198 0.333280 0.838538 O\n0.675802 0.666720 0.338538 O\n0.675802 0.833280 0.838538 O\n0.824198 0.166720 0.338538 O\n0.175802 0.666720 0.161462 O\n0.324198 0.333280 0.661462 O\n0.402578 0.199412 0.899170 F\n0.097422 0.800588 0.399170 F\n0.902578 0.300588 0.100830 F\n0.597422 0.699412 0.600830 F\n0.597422 0.800588 0.100830 F\n0.902578 0.199412 0.600830 F\n0.097422 0.699412 0.899170 F\n0.402578 0.300588 0.399170 F\n",
            "nsites": 72,
            "nelements": 5,
            "elements": [
                "V",
                "Pb",
                "Se",
                "O",
                "F"
            ],
            "chemical_system": "F-O-Pb-Se-V",
            "density": 5.268314116445194,
            "density_atomic": 0.06547598953296764,
            "volume": 1099.639738376882,
            "volume_molar": 9.197479569159942,
            "formula_full": "V8 Pb8 Se8 O40 F8",
            "formula_reduced": "VPbSeO5F",
            "formula_anonymous": "ABCDE5",
            "energy": -484.75582956,
            "energy_per_atom": -6.732719855,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -439.97982956,
            "band_gap": 2.8394000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.1967401,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:46.261000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1040392",
            "created_at": "2022-09-04T14:44:48.564546Z",
            "structure_string": "Ba1 Mg30 Ti1 O32\n1.0\n8.673375 0.000000 0.000000\n0.000000 8.673375 0.000000\n0.000000 0.000000 8.679711\nBa Mg Ti O\n1 30 1 32\ndirect\n0.000000 -0.000000 0.500000 Ba\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 0.000000 Mg\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.259915 0.244435 Mg\n0.000000 0.259915 0.755565 Mg\n0.000000 0.740085 0.244435 Mg\n0.000000 0.740085 0.755565 Mg\n0.500000 0.251457 0.249042 Mg\n0.500000 0.251457 0.750958 Mg\n0.500000 0.748543 0.249042 Mg\n0.500000 0.748543 0.750958 Mg\n0.259915 -0.000000 0.244435 Mg\n0.259915 -0.000000 0.755565 Mg\n0.251457 0.500000 0.249042 Mg\n0.251457 0.500000 0.750958 Mg\n0.740085 -0.000000 0.244435 Mg\n0.740085 -0.000000 0.755565 Mg\n0.748543 0.500000 0.249042 Mg\n0.748543 0.500000 0.750958 Mg\n0.251163 0.251163 0.000000 Mg\n0.257775 0.257775 0.500000 Mg\n0.251163 0.748837 0.000000 Mg\n0.257775 0.742225 0.500000 Mg\n0.748837 0.251163 -0.000000 Mg\n0.742225 0.257775 0.500000 Mg\n0.748837 0.748837 0.000000 Mg\n0.742225 0.742225 0.500000 Mg\n0.000000 -0.000000 0.000000 Ti\n0.257222 -0.000000 0.000000 O\n0.279377 -0.000000 0.500000 O\n0.251620 0.500000 -0.000000 O\n0.255900 0.500000 0.500000 O\n0.742778 -0.000000 -0.000000 O\n0.720623 -0.000000 0.500000 O\n0.748380 0.500000 0.000000 O\n0.744100 0.500000 0.500000 O\n0.249153 0.249153 0.250184 O\n0.249153 0.249153 0.749816 O\n0.249153 0.750847 0.250184 O\n0.249153 0.750847 0.749816 O\n0.750847 0.249153 0.250184 O\n0.750847 0.249153 0.749816 O\n0.750847 0.750847 0.250184 O\n0.750847 0.750847 0.749816 O\n0.000000 -0.000000 0.223942 O\n0.000000 -0.000000 0.776058 O\n0.000000 0.500000 0.243866 O\n0.000000 0.500000 0.756134 O\n0.500000 -0.000000 0.243866 O\n0.500000 -0.000000 0.756134 O\n0.500000 0.500000 0.248214 O\n0.500000 0.500000 0.751786 O\n0.000000 0.257222 -0.000000 O\n0.000000 0.279377 0.500000 O\n0.000000 0.742778 0.000000 O\n0.000000 0.720623 0.500000 O\n0.500000 0.251620 0.000000 O\n0.500000 0.255900 0.500000 O\n0.500000 0.748380 -0.000000 O\n0.500000 0.744100 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mg",
                "Ti",
                "O"
            ],
            "chemical_system": "Ba-Mg-O-Ti",
            "density": 3.62732123331829,
            "density_atomic": 0.09801633538202664,
            "volume": 652.9523854422306,
            "volume_molar": 6.144017460485761,
            "formula_full": "Ba1 Mg30 Ti1 O32",
            "formula_reduced": "BaMg30TiO32",
            "formula_anonymous": "ABC30D32",
            "energy": -404.05539699,
            "energy_per_atom": -6.31336557796875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -382.07139699,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.7466774,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:42.209000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-22389",
            "created_at": "2022-09-04T14:44:49.764197Z",
            "structure_string": "Mn6 Sn2\n1.0\n2.795535 -4.842009 0.000000\n2.795535 4.842009 0.000000\n0.000000 0.000000 4.502617\nMn Sn\n6 2\ndirect\n0.161934 0.838066 0.250000 Mn\n0.161934 0.323868 0.250000 Mn\n0.676132 0.838066 0.250000 Mn\n0.838066 0.161934 0.750000 Mn\n0.838066 0.676132 0.750000 Mn\n0.323868 0.161934 0.750000 Mn\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Mn",
                "Sn"
            ],
            "chemical_system": "Mn-Sn",
            "density": 7.724735157020769,
            "density_atomic": 0.06563031040073665,
            "volume": 121.89489812180146,
            "volume_molar": 9.175852930191851,
            "formula_full": "Mn6 Sn2",
            "formula_reduced": "Mn3Sn",
            "formula_anonymous": "AB3",
            "energy": -61.59116244,
            "energy_per_atom": -7.698895305,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -61.59116244,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 17.9499526,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:44.545000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-758674",
            "created_at": "2022-09-04T14:44:46.709537Z",
            "structure_string": "Li6 V3 P6 W1 O24\n1.0\n8.646330 0.000000 0.000000\n4.063899 7.634494 0.000000\n4.062383 2.407751 7.261564\nLi V P W O\n6 3 6 1 24\ndirect\n0.026945 0.005763 0.999538 Li\n0.753707 0.147600 0.345253 Li\n0.473650 0.504877 0.492764 Li\n0.271387 0.836551 0.646763 Li\n0.650255 0.270552 0.833795 Li\n0.832165 0.650067 0.273766 Li\n0.140927 0.146175 0.138086 V\n0.357261 0.360361 0.353794 V\n0.643565 0.649604 0.647547 V\n0.051869 0.750620 0.442486 P\n0.444551 0.056390 0.749541 P\n0.749950 0.445691 0.051127 P\n0.257710 0.537431 0.955884 P\n0.538584 0.961101 0.257994 P\n0.953611 0.256270 0.533176 P\n0.857219 0.853760 0.855017 W\n0.123764 0.297695 0.488266 O\n0.316281 0.500493 0.112848 O\n0.049050 0.918007 0.263368 O\n0.526570 0.116729 0.307224 O\n0.237756 0.592213 0.419397 O\n0.032842 0.804680 0.599007 O\n0.258473 0.070135 0.908392 O\n0.438139 0.236123 0.582956 O\n0.597144 0.420934 0.243060 O\n0.193429 0.385934 0.987984 O\n0.108718 0.735251 0.925058 O\n0.373973 0.007575 0.205051 O\n0.600846 0.030633 0.807998 O\n0.904061 0.252815 0.071596 O\n0.810155 0.598599 0.028076 O\n0.420627 0.554609 0.765859 O\n0.548938 0.773529 0.420977 O\n0.732184 0.922099 0.106503 O\n0.967928 0.197699 0.382143 O\n0.768410 0.423171 0.553107 O\n0.484034 0.891323 0.693311 O\n0.923738 0.106995 0.728697 O\n0.694319 0.483109 0.889439 O\n0.885267 0.695836 0.484151 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Li",
                "V",
                "P",
                "W",
                "O"
            ],
            "chemical_system": "Li-O-P-V-W",
            "density": 3.2845715254694174,
            "density_atomic": 0.08344835055731323,
            "volume": 479.33841391541426,
            "volume_molar": 7.216608500684418,
            "formula_full": "Li6 V3 P6 W1 O24",
            "formula_reduced": "Li6V3P6WO24",
            "formula_anonymous": "AB3C6D6E24",
            "energy": -307.70750554,
            "energy_per_atom": -7.6926876385,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -281.68150554,
            "band_gap": 1.5166999999999995,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.9999998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:43.036000Z",
            "spacegroup": 1
        }
    ]
}