GET /third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=49
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=is_gap_direct&page=50",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_gap_direct&page=48",
    "results": [
        {
            "id": "mp-1216181",
            "created_at": "2022-09-04T14:45:16.868144Z",
            "structure_string": "Y2 B6 Rh9\n1.0\n2.805543 -4.859343 0.000000\n2.805543 4.859343 0.000000\n0.000000 0.000000 8.600749\nY B Rh\n2 6 9\ndirect\n0.000000 0.000000 0.706147 Y\n0.000000 0.000000 0.293853 Y\n0.666667 0.333333 0.000000 B\n0.333333 0.666667 0.000000 B\n0.666667 0.333333 0.667505 B\n0.333333 0.666667 0.667505 B\n0.333333 0.666667 0.332495 B\n0.666667 0.333333 0.332495 B\n0.500000 0.500000 0.835657 Rh\n0.500000 0.000000 0.835657 Rh\n0.000000 0.500000 0.835657 Rh\n0.500000 0.500000 0.164343 Rh\n0.500000 0.000000 0.164343 Rh\n0.000000 0.500000 0.164343 Rh\n0.500000 0.500000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n",
            "nsites": 17,
            "nelements": 3,
            "elements": [
                "Y",
                "B",
                "Rh"
            ],
            "chemical_system": "B-Rh-Y",
            "density": 8.276346281830678,
            "density_atomic": 0.07249168047967126,
            "volume": 234.50966907529872,
            "volume_molar": 8.307354333838045,
            "formula_full": "Y2 B6 Rh9",
            "formula_reduced": "Y2(B2Rh3)3",
            "formula_anonymous": "A2B6C9",
            "energy": -130.04774074,
            "energy_per_atom": -7.649867102352941,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -130.04774074,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008556,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:55.446000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-31166",
            "created_at": "2022-09-04T14:45:16.870182Z",
            "structure_string": "Dy1 Tl1 S2\n1.0\n7.621355 -2.016943 0.000000\n7.621355 2.016943 0.000000\n7.087584 0.000000 3.452429\nDy Tl S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Tl\n0.732549 0.732549 0.732549 S\n0.267451 0.267451 0.267451 S\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Dy",
                "Tl",
                "S"
            ],
            "chemical_system": "Dy-S-Tl",
            "density": 6.743093801692972,
            "density_atomic": 0.03768594616055868,
            "volume": 106.1403628545836,
            "volume_molar": 15.979805135694448,
            "formula_full": "Dy1 Tl1 S2",
            "formula_reduced": "DyTlS2",
            "formula_anonymous": "ABC2",
            "energy": -22.19200996,
            "energy_per_atom": -5.54800249,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.18600996,
            "band_gap": 1.5281999999999996,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0023597,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:57.590000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1302239",
            "created_at": "2022-09-04T14:45:16.876327Z",
            "structure_string": "Sr8 La8 Mn4 Zn4 O32\n1.0\n-7.743051 0.000032 0.000004\n-0.000007 -0.000002 12.643646\n-3.871558 7.801049 0.000001\nSr La Mn Zn O\n8 8 4 4 32\ndirect\n0.749987 0.637086 0.500011 Sr\n0.499520 0.637335 0.999983 Sr\n0.250000 0.637089 0.500007 Sr\n0.000495 0.637335 0.999991 Sr\n0.749987 0.362913 0.500011 Sr\n0.499523 0.362664 0.999982 Sr\n0.250001 0.362911 0.500008 Sr\n0.000495 0.362665 0.999990 Sr\n0.374717 0.144454 0.750567 La\n0.125286 0.144456 0.249433 La\n0.875283 0.144582 0.749436 La\n0.624722 0.144581 0.250564 La\n0.374712 0.855548 0.750577 La\n0.125283 0.855548 0.249434 La\n0.875284 0.855415 0.749429 La\n0.624714 0.855416 0.250571 La\n0.374706 0.500000 0.750583 Mn\n0.125268 0.500000 0.249466 Mn\n0.874761 0.500002 0.750495 Mn\n0.625269 0.499999 0.249453 Mn\n0.749998 0.000001 0.500001 Zn\n0.500133 0.999999 0.000004 Zn\n0.250001 0.000000 0.500000 Zn\n0.999862 0.999997 0.000004 Zn\n0.373967 0.337723 0.752072 O\n0.126024 0.337722 0.247951 O\n0.875496 0.336803 0.749012 O\n0.624517 0.336811 0.250962 O\n0.373964 0.662277 0.752071 O\n0.126024 0.662278 0.247954 O\n0.875496 0.663197 0.749009 O\n0.624515 0.663188 0.250962 O\n0.749994 0.825111 0.500001 O\n0.499119 0.825481 0.000007 O\n0.250005 0.825114 0.499996 O\n0.000883 0.825481 0.999996 O\n0.749997 0.174889 0.499992 O\n0.499123 0.174519 0.000010 O\n0.250007 0.174887 0.499998 O\n0.000871 0.174519 0.999998 O\n0.493941 0.499999 0.512058 O\n0.249968 0.500000 0.000056 O\n0.005989 0.499999 0.488076 O\n0.750104 0.500000 0.999802 O\n0.621901 0.500002 0.750682 O\n0.372606 0.499999 0.249282 O\n0.127408 0.500001 0.750715 O\n0.878083 0.500000 0.249319 O\n0.624468 0.000002 0.750130 O\n0.374590 0.000001 0.249872 O\n0.125400 0.999999 0.750133 O\n0.875538 0.000000 0.249874 O\n0.500041 0.999999 0.499919 O\n0.250009 0.000002 0.999982 O\n0.999933 0.000000 0.500130 O\n0.750012 0.999998 0.999976 O\n",
            "nsites": 56,
            "nelements": 5,
            "elements": [
                "Sr",
                "La",
                "Mn",
                "Zn",
                "O"
            ],
            "chemical_system": "La-Mn-O-Sr-Zn",
            "density": 6.100059454607723,
            "density_atomic": 0.07332489746075323,
            "volume": 763.7242183662611,
            "volume_molar": 8.212954901468931,
            "formula_full": "Sr8 La8 Mn4 Zn4 O32",
            "formula_reduced": "Sr2La2MnZnO8",
            "formula_anonymous": "ABC2D2E8",
            "energy": -415.68376505,
            "energy_per_atom": -7.4229243758928565,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -387.02776505,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.6163748,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:59.918000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-1110946",
            "created_at": "2022-09-04T14:45:16.039917Z",
            "structure_string": "K2 Cu1 Bi1 I6\n1.0\n0.000000 5.930298 5.930298\n5.930298 0.000000 5.930298\n5.930298 5.930298 0.000000\nK Cu Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.739341 0.260659 0.260659 I\n0.260659 0.260659 0.739341 I\n0.260659 0.739341 0.739341 I\n0.260659 0.739341 0.260659 I\n0.739341 0.260659 0.739341 I\n0.739341 0.739341 0.260659 I\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "K",
                "Cu",
                "Bi",
                "I"
            ],
            "chemical_system": "Bi-Cu-I-K",
            "density": 4.427441642347549,
            "density_atomic": 0.023973997303813405,
            "volume": 417.1185920008991,
            "volume_molar": 25.119468746424246,
            "formula_full": "K2 Cu1 Bi1 I6",
            "formula_reduced": "K2CuBiI6",
            "formula_anonymous": "ABC2D6",
            "energy": -28.85223041,
            "energy_per_atom": -2.885223041,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.57823041,
            "band_gap": 0.8293000000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0017739,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:54.751000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-22666",
            "created_at": "2022-09-04T14:45:16.914625Z",
            "structure_string": "Nd1 Cu3 Ru4 O12\n1.0\n-3.766711 3.766711 3.766711\n3.766711 -3.766711 3.766711\n3.766711 3.766711 -3.766711\nNd Cu Ru O\n1 3 4 12\ndirect\n0.000000 0.000000 0.000000 Nd\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ru\n0.170071 0.865453 0.695383 O\n0.829929 0.134547 0.304617 O\n0.829929 0.525312 0.695383 O\n0.474688 0.304617 0.170071 O\n0.304617 0.170071 0.474688 O\n0.695383 0.170071 0.865453 O\n0.134547 0.304617 0.829929 O\n0.695383 0.829929 0.525312 O\n0.170071 0.474688 0.304617 O\n0.525312 0.695383 0.829929 O\n0.304617 0.829929 0.134547 O\n0.865453 0.695383 0.170071 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Nd",
                "Cu",
                "Ru",
                "O"
            ],
            "chemical_system": "Cu-Nd-O-Ru",
            "density": 7.233078169701726,
            "density_atomic": 0.09355846834392785,
            "volume": 213.77006650513474,
            "volume_molar": 6.436767153842413,
            "formula_full": "Nd1 Cu3 Ru4 O12",
            "formula_reduced": "NdCu3(RuO3)4",
            "formula_anonymous": "AB3C4D12",
            "energy": -144.56387559,
            "energy_per_atom": -7.228193779500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -136.31987559,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.4577983,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:06.379000Z",
            "spacegroup": 204
        },
        {
            "id": "mp-22437",
            "created_at": "2022-09-04T14:45:16.863467Z",
            "structure_string": "Re12 P26\n1.0\n5.342902 -7.883748 0.000000\n5.342902 7.883748 0.000000\n-6.290005 0.000000 7.150938\nRe P\n12 26\ndirect\n0.820801 0.910318 0.330766 Re\n0.910318 0.330766 0.820801 Re\n0.330766 0.820801 0.910318 Re\n0.179199 0.089682 0.669234 Re\n0.089682 0.669234 0.179199 Re\n0.669234 0.179199 0.089682 Re\n0.834437 0.730406 0.502539 Re\n0.730406 0.502539 0.834437 Re\n0.502539 0.834437 0.730406 Re\n0.165563 0.269594 0.497461 Re\n0.269594 0.497461 0.165563 Re\n0.497461 0.165563 0.269594 Re\n0.368704 0.368704 0.368704 P\n0.631296 0.631296 0.631296 P\n0.963821 0.003168 0.196306 P\n0.003168 0.196306 0.963821 P\n0.196306 0.963821 0.003168 P\n0.036179 0.996832 0.803694 P\n0.996832 0.803694 0.036179 P\n0.803694 0.036179 0.996832 P\n0.379573 0.008105 0.795210 P\n0.008105 0.795210 0.379573 P\n0.795210 0.379573 0.008105 P\n0.620427 0.991895 0.204790 P\n0.991895 0.204790 0.620427 P\n0.204790 0.620427 0.991895 P\n0.403247 0.226228 0.612394 P\n0.226228 0.612395 0.403247 P\n0.612395 0.403247 0.226228 P\n0.596753 0.773772 0.387605 P\n0.773772 0.387606 0.596753 P\n0.387605 0.596753 0.773772 P\n0.603568 0.611504 0.000032 P\n0.611504 0.000032 0.603568 P\n0.000032 0.603568 0.611504 P\n0.396432 0.388496 0.999968 P\n0.388496 0.999968 0.396432 P\n0.999968 0.396432 0.388496 P\n",
            "nsites": 38,
            "nelements": 2,
            "elements": [
                "Re",
                "P"
            ],
            "chemical_system": "P-Re",
            "density": 8.378985068275094,
            "density_atomic": 0.06307839670213619,
            "volume": 602.4249503271395,
            "volume_molar": 9.547073284752743,
            "formula_full": "Re12 P26",
            "formula_reduced": "Re6P13",
            "formula_anonymous": "A6B13",
            "energy": -303.95442878,
            "energy_per_atom": -7.998800757368421,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -303.95442878,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0265859,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:55.706000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1037611",
            "created_at": "2022-09-04T14:45:16.865646Z",
            "structure_string": "Ba1 Mg30 Zn1 O32\n1.0\n8.669334 0.000000 0.000000\n0.000000 8.669334 0.000000\n0.000000 0.000000 8.615098\nBa Mg Zn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.258804 0.000000 0.242289 Mg\n0.258804 0.000000 0.757711 Mg\n0.741196 0.000000 0.242289 Mg\n0.741196 0.000000 0.757711 Mg\n0.250545 0.500000 0.249188 Mg\n0.250545 0.500000 0.750812 Mg\n0.749455 0.500000 0.249188 Mg\n0.749455 0.500000 0.750812 Mg\n0.000000 0.258804 0.242289 Mg\n0.000000 0.258804 0.757711 Mg\n0.500000 0.250545 0.249188 Mg\n0.500000 0.250545 0.750812 Mg\n0.000000 0.741196 0.242289 Mg\n0.000000 0.741196 0.757711 Mg\n0.500000 0.749455 0.249188 Mg\n0.500000 0.749455 0.750812 Mg\n0.250175 0.250175 0.000000 Mg\n0.257439 0.257439 0.500000 Mg\n0.749825 0.250175 0.000000 Mg\n0.742561 0.257439 0.500000 Mg\n0.250175 0.749825 0.000000 Mg\n0.257439 0.742561 0.500000 Mg\n0.749825 0.749825 0.000000 Mg\n0.742561 0.742561 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.262021 0.000000 O\n0.000000 0.278562 0.500000 O\n0.500000 0.251977 0.000000 O\n0.500000 0.255729 0.500000 O\n0.000000 0.737979 0.000000 O\n0.000000 0.721438 0.500000 O\n0.500000 0.748023 0.000000 O\n0.500000 0.744271 0.500000 O\n0.248768 0.248768 0.250732 O\n0.248768 0.248768 0.749268 O\n0.751232 0.248768 0.250732 O\n0.751232 0.248768 0.749268 O\n0.248768 0.751232 0.250732 O\n0.248768 0.751232 0.749268 O\n0.751232 0.751232 0.250732 O\n0.751232 0.751232 0.749268 O\n0.000000 0.000000 0.220544 O\n0.000000 0.000000 0.779456 O\n0.500000 0.000000 0.245422 O\n0.500000 0.000000 0.754578 O\n0.000000 0.500000 0.245422 O\n0.000000 0.500000 0.754578 O\n0.500000 0.500000 0.249008 O\n0.500000 0.500000 0.750992 O\n0.262021 0.000000 0.000000 O\n0.278562 0.000000 0.500000 O\n0.737979 0.000000 0.000000 O\n0.721438 0.000000 0.500000 O\n0.251977 0.500000 0.000000 O\n0.255729 0.500000 0.500000 O\n0.748023 0.500000 0.000000 O\n0.744271 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Ba",
                "Mg",
                "Zn",
                "O"
            ],
            "chemical_system": "Ba-Mg-O-Zn",
            "density": 3.7029217570967607,
            "density_atomic": 0.09884353787630584,
            "volume": 647.4879529311312,
            "volume_molar": 6.09259936399301,
            "formula_full": "Ba1 Mg30 Zn1 O32",
            "formula_reduced": "BaMg30ZnO32",
            "formula_anonymous": "ABC30D32",
            "energy": -396.88486148,
            "energy_per_atom": -6.201325960625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -374.90086148,
            "band_gap": 3.2977,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.27e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:10.657000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1188469",
            "created_at": "2022-09-04T14:45:16.867628Z",
            "structure_string": "La10 Ge6\n1.0\n4.539306 -7.862308 0.000000\n4.539306 7.862308 0.000000\n0.000000 0.000000 6.885583\nLa Ge\n10 6\ndirect\n0.666667 0.333333 0.000000 La\n0.333333 0.666667 0.000000 La\n0.333333 0.666667 0.500000 La\n0.666667 0.333333 0.500000 La\n0.751297 0.751297 0.750000 La\n0.248703 0.000000 0.750000 La\n0.000000 0.248703 0.750000 La\n0.248703 0.248703 0.250000 La\n0.751297 0.000000 0.250000 La\n0.000000 0.751297 0.250000 La\n0.390588 0.390588 0.750000 Ge\n0.609412 0.000000 0.750000 Ge\n0.000000 0.609412 0.750000 Ge\n0.609412 0.609412 0.250000 Ge\n0.390588 0.000000 0.250000 Ge\n0.000000 0.390588 0.250000 Ge\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "La",
                "Ge"
            ],
            "chemical_system": "Ge-La",
            "density": 6.165618952292826,
            "density_atomic": 0.03255440456137006,
            "volume": 491.48495312938496,
            "volume_molar": 18.498697307294744,
            "formula_full": "La10 Ge6",
            "formula_reduced": "La5Ge3",
            "formula_anonymous": "A3B5",
            "energy": -88.22521765,
            "energy_per_atom": -5.514076103125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -88.22521765,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.1204866,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:57.383000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-757969",
            "created_at": "2022-09-04T14:45:16.869146Z",
            "structure_string": "Li12 Co12 P12 O48\n1.0\n7.617441 0.000000 0.000000\n0.000000 8.635193 0.000000\n0.000000 8.454255 14.999804\nLi Co P O\n12 12 12 48\ndirect\n0.981578 0.293960 0.930610 Li\n0.023197 0.644237 0.585974 Li\n0.042780 0.998671 0.243075 Li\n0.542780 0.001329 0.256925 Li\n0.523197 0.355763 0.914026 Li\n0.481578 0.706040 0.569390 Li\n0.518422 0.293960 0.430610 Li\n0.476803 0.644237 0.085974 Li\n0.457220 0.998671 0.743075 Li\n0.957220 0.001329 0.756925 Li\n0.976803 0.355763 0.414026 Li\n0.018422 0.706040 0.069390 Li\n0.677535 0.648251 0.410009 Co\n0.816781 0.322041 0.763373 Co\n0.676756 0.016407 0.079467 Co\n0.176756 0.983593 0.420533 Co\n0.316781 0.677959 0.736627 Co\n0.177535 0.351749 0.089991 Co\n0.822465 0.648251 0.910009 Co\n0.683219 0.322041 0.263373 Co\n0.823244 0.016407 0.579467 Co\n0.323244 0.983593 0.920533 Co\n0.183219 0.677959 0.236627 Co\n0.322465 0.351749 0.589991 Co\n0.265264 0.652382 0.407396 P\n0.219965 0.309857 0.768401 P\n0.264675 0.033734 0.076301 P\n0.764675 0.966266 0.423699 P\n0.719965 0.690143 0.731599 P\n0.765264 0.347618 0.092604 P\n0.234736 0.652382 0.907396 P\n0.280035 0.309857 0.268401 P\n0.235325 0.033734 0.576301 P\n0.735325 0.966266 0.923699 P\n0.780035 0.690143 0.231599 P\n0.734736 0.347618 0.592604 P\n0.440506 0.571462 0.397139 O\n0.878806 0.409124 0.635840 O\n0.371549 0.244757 0.837787 O\n0.222510 0.585762 0.507354 O\n0.777004 0.096135 0.959817 O\n0.771715 0.787757 0.287311 O\n0.266756 0.926551 0.180168 O\n0.047791 0.261896 0.823972 O\n0.443684 0.127858 0.040027 O\n0.225443 0.512751 0.700869 O\n0.124748 0.183470 0.043980 O\n0.274904 0.859296 0.358423 O\n0.774904 0.140704 0.141577 O\n0.624748 0.816530 0.456020 O\n0.725443 0.487249 0.799131 O\n0.943684 0.872142 0.459973 O\n0.547791 0.738104 0.676028 O\n0.766756 0.073449 0.319832 O\n0.271715 0.212243 0.212689 O\n0.277004 0.903865 0.540183 O\n0.722510 0.414238 0.992646 O\n0.871549 0.755243 0.662213 O\n0.378806 0.590876 0.864160 O\n0.940506 0.428538 0.102861 O\n0.059494 0.571462 0.897139 O\n0.621194 0.409124 0.135840 O\n0.128451 0.244757 0.337787 O\n0.277490 0.585762 0.007354 O\n0.722996 0.096135 0.459817 O\n0.728285 0.787757 0.787311 O\n0.233244 0.926551 0.680168 O\n0.452209 0.261896 0.323972 O\n0.056316 0.127858 0.540027 O\n0.274557 0.512751 0.200869 O\n0.375252 0.183470 0.543980 O\n0.225096 0.859296 0.858423 O\n0.725096 0.140704 0.641577 O\n0.774557 0.487249 0.299131 O\n0.875252 0.816530 0.956020 O\n0.556316 0.872142 0.959973 O\n0.952209 0.738104 0.176028 O\n0.733244 0.073449 0.819832 O\n0.228285 0.212243 0.712689 O\n0.222996 0.903865 0.040183 O\n0.777490 0.414238 0.492646 O\n0.628451 0.755243 0.162213 O\n0.121194 0.590876 0.364160 O\n0.559494 0.428538 0.602861 O\n",
            "nsites": 84,
            "nelements": 4,
            "elements": [
                "Li",
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-Li-O-P",
            "density": 3.248423775465006,
            "density_atomic": 0.08513586521708454,
            "volume": 986.6582055143476,
            "volume_molar": 7.07356499478144,
            "formula_full": "Li12 Co12 P12 O48",
            "formula_reduced": "LiCoPO4",
            "formula_anonymous": "ABCD4",
            "energy": -606.1566015,
            "energy_per_atom": -7.216150017857142,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -553.5246015,
            "band_gap": 3.071,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 36.0032356,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:58.256000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-698068",
            "created_at": "2022-09-04T14:45:16.870381Z",
            "structure_string": "Sn4 P4 H20 N4 O16 F4\n1.0\n5.396958 0.000000 0.000000\n0.000000 6.757470 0.000000\n0.000000 0.000000 15.459963\nSn P H N O F\n4 4 20 4 16 4\ndirect\n0.250000 0.658094 0.303365 Sn\n0.250000 0.158094 0.196635 Sn\n0.750000 0.341906 0.696635 Sn\n0.750000 0.841906 0.803365 Sn\n0.750000 0.383035 0.336631 P\n0.750000 0.883035 0.163369 P\n0.250000 0.616965 0.663369 P\n0.250000 0.116965 0.836631 P\n0.750000 0.054503 0.329307 H\n0.750000 0.554503 0.170693 H\n0.250000 0.945497 0.670693 H\n0.250000 0.445497 0.829307 H\n0.250000 0.074347 0.462582 H\n0.250000 0.574347 0.037418 H\n0.750000 0.925653 0.537418 H\n0.750000 0.425653 0.962582 H\n0.250000 0.323165 0.451711 H\n0.250000 0.823165 0.048289 H\n0.750000 0.676835 0.548289 H\n0.750000 0.176835 0.951711 H\n0.093101 0.219533 0.533656 H\n0.406899 0.719533 0.966344 H\n0.593101 0.780467 0.466344 H\n0.906899 0.280467 0.033656 H\n0.906899 0.780467 0.466344 H\n0.593101 0.280467 0.033656 H\n0.406899 0.219533 0.533656 H\n0.093101 0.719533 0.966344 H\n0.250000 0.208512 0.495795 N\n0.250000 0.708512 0.004205 N\n0.750000 0.791488 0.504205 N\n0.750000 0.291488 0.995795 N\n0.750000 0.163513 0.374775 O\n0.750000 0.663513 0.125225 O\n0.250000 0.836487 0.625225 O\n0.250000 0.336487 0.874775 O\n0.983305 0.485481 0.375174 O\n0.516695 0.985481 0.124826 O\n0.483305 0.514519 0.624826 O\n0.016695 0.014519 0.875174 O\n0.016695 0.514519 0.624826 O\n0.483305 0.014519 0.875174 O\n0.516695 0.485481 0.375174 O\n0.983305 0.985481 0.124826 O\n0.750000 0.375485 0.237639 O\n0.750000 0.875485 0.262361 O\n0.250000 0.624515 0.762361 O\n0.250000 0.124515 0.737639 O\n0.250000 0.840235 0.414100 F\n0.250000 0.340235 0.085900 F\n0.750000 0.159765 0.585900 F\n0.750000 0.659765 0.914100 F\n",
            "nsites": 52,
            "nelements": 6,
            "elements": [
                "Sn",
                "P",
                "H",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "F-H-N-O-P-Sn",
            "density": 2.965485697450092,
            "density_atomic": 0.09222777445059015,
            "volume": 563.8214768790538,
            "volume_molar": 6.529639033224514,
            "formula_full": "Sn4 P4 H20 N4 O16 F4",
            "formula_reduced": "SnPH5NO4F",
            "formula_anonymous": "ABCDE4F5",
            "energy": -311.20987496,
            "energy_per_atom": -5.984805287692307,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -296.92587496,
            "band_gap": 2.8792,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000602,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:01.580000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1214952",
            "created_at": "2022-09-04T14:45:16.999007Z",
            "structure_string": "Cd2 C12 O12\n1.0\n8.485567 4.678141 0.000000\n-8.485567 4.678141 0.000000\n0.000000 2.691318 27.035486\nCd C O\n2 12 12\ndirect\n0.000000 0.500000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.979667 0.560290 0.254104 C\n0.020333 0.439710 0.745896 C\n0.178598 0.443906 0.999739 C\n0.439710 0.020333 0.245896 C\n0.821402 0.556094 0.000261 C\n0.560290 0.979667 0.754104 C\n0.665687 0.439729 0.000160 C\n0.556094 0.821402 0.500261 C\n0.334313 0.560271 0.999840 C\n0.443906 0.178598 0.499739 C\n0.560271 0.334313 0.499840 C\n0.439729 0.665687 0.500160 C\n0.955534 0.177209 0.248706 O\n0.044466 0.822791 0.751294 O\n0.522016 0.346101 0.000182 O\n0.822791 0.044466 0.251294 O\n0.477984 0.653899 0.999818 O\n0.177209 0.955534 0.748706 O\n0.852215 0.533010 0.266336 O\n0.653899 0.477984 0.499818 O\n0.147785 0.466990 0.733664 O\n0.346101 0.522016 0.500182 O\n0.466990 0.147785 0.233664 O\n0.533010 0.852215 0.766336 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Cd",
                "C",
                "O"
            ],
            "chemical_system": "C-Cd-O",
            "density": 0.4339599337071895,
            "density_atomic": 0.012113091477548937,
            "volume": 2146.4380128053863,
            "volume_molar": 49.71596863741815,
            "formula_full": "Cd2 C12 O12",
            "formula_reduced": "Cd(CO)6",
            "formula_anonymous": "AB6C6",
            "energy": -166.2071565,
            "energy_per_atom": -6.392582942307692,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -164.2751565,
            "band_gap": 0.0213999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.5210792,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:53.200000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1095072",
            "created_at": "2022-09-04T14:45:17.204461Z",
            "structure_string": "Sm2 P4 Ir4\n1.0\n4.158911 0.000000 0.000000\n0.000000 4.158911 0.000000\n0.000000 0.000000 9.635968\nSm P Ir\n2 4 4\ndirect\n0.000000 0.500000 0.241877 Sm\n0.500000 0.000000 0.758123 Sm\n0.000000 0.000000 0.000000 P\n0.500000 0.500000 0.000000 P\n0.000000 0.500000 0.639770 P\n0.500000 0.000000 0.360230 P\n0.000000 0.000000 0.500000 Ir\n0.500000 0.500000 0.500000 Ir\n0.000000 0.500000 0.885669 Ir\n0.500000 0.000000 0.114331 Ir\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Sm",
                "P",
                "Ir"
            ],
            "chemical_system": "Ir-P-Sm",
            "density": 11.890791112716006,
            "density_atomic": 0.059999191419834064,
            "volume": 166.66891275295217,
            "volume_molar": 10.037036529144371,
            "formula_full": "Sm2 P4 Ir4",
            "formula_reduced": "Sm(PIr)2",
            "formula_anonymous": "AB2C2",
            "energy": -76.5320502,
            "energy_per_atom": -7.65320502,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -76.5320502,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008068,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:56.381000Z",
            "spacegroup": 129
        }
    ]
}