GET /third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=80
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=-formula_anonymous&page=81",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=79",
    "results": [
        {
            "id": "mp-1044931",
            "created_at": "2022-09-04T14:46:01.450404Z",
            "structure_string": "La2 V2 Zn2 Cr2 O12\n1.0\n5.448746 0.000000 0.000000\n0.000000 5.355642 0.000000\n0.000000 5.372377 7.771050\nLa V Zn Cr O\n2 2 2 2 12\ndirect\n0.212877 0.744728 0.248887 La\n0.787123 0.744728 0.748887 La\n0.264560 0.502537 0.999760 V\n0.735440 0.502537 0.499760 V\n0.733964 0.256155 0.251820 Zn\n0.266036 0.256155 0.751820 Zn\n0.252029 0.001379 0.498485 Cr\n0.747971 0.001379 0.998485 Cr\n0.706901 0.174889 0.748871 O\n0.468323 0.729138 0.052733 O\n0.475883 0.335728 0.454264 O\n0.954126 0.629388 0.053567 O\n0.943415 0.251515 0.439394 O\n0.229467 0.874543 0.752219 O\n0.293099 0.174889 0.248871 O\n0.531677 0.729138 0.552733 O\n0.524117 0.335728 0.954264 O\n0.045874 0.629388 0.553567 O\n0.056585 0.251515 0.939394 O\n0.770533 0.874543 0.252219 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "La",
                "V",
                "Zn",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-La-O-V-Zn",
            "density": 5.905599841431266,
            "density_atomic": 0.08819463972082284,
            "volume": 226.7711514362928,
            "volume_molar": 6.828238971283157,
            "formula_full": "La2 V2 Zn2 Cr2 O12",
            "formula_reduced": "LaVZnCrO6",
            "formula_anonymous": "ABCDE6",
            "energy": -161.53819671000002,
            "energy_per_atom": -8.0769098355,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -145.89619671,
            "band_gap": 1.3988000000000005,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0002111,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:15.305000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1522207",
            "created_at": "2022-09-04T14:39:15.297436Z",
            "structure_string": "Na1 Pr1 Hf1 Ti1 O6\n1.0\n-0.000000 -3.997185 -3.997185\n3.997185 0.000000 -3.997185\n3.997185 -3.997185 -0.000000\nNa Pr Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743894 0.256106 0.256106 O\n0.256106 0.743894 0.743894 O\n0.743894 0.256106 0.743894 O\n0.256106 0.743894 0.256106 O\n0.743894 0.743894 0.256106 O\n0.256106 0.256106 0.743894 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Na",
                "Pr",
                "Hf",
                "Ti",
                "O"
            ],
            "chemical_system": "Hf-Na-O-Pr-Ti",
            "density": 6.321449908310516,
            "density_atomic": 0.07829017383386552,
            "volume": 127.72995013678661,
            "volume_molar": 7.692077389915102,
            "formula_full": "Na1 Pr1 Hf1 Ti1 O6",
            "formula_reduced": "NaPrHfTiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -88.05995537,
            "energy_per_atom": -8.805995537,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -83.93795537,
            "band_gap": 2.2549,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:43.717000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1518554",
            "created_at": "2022-09-04T14:41:46.423779Z",
            "structure_string": "Na2 Ca2 Eu2 W2 O12\n1.0\n5.762905 0.000000 0.000000\n0.000000 5.762905 0.000000\n0.000000 0.000000 8.450094\nNa Ca Eu W O\n2 2 2 2 12\ndirect\n0.000000 0.500000 0.250000 Na\n0.500000 0.000000 0.750000 Na\n0.500000 0.000000 0.250000 Ca\n0.000000 0.500000 0.750000 Ca\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.000000 0.000000 0.268296 O\n0.500000 0.500000 0.231704 O\n0.000000 0.000000 0.731704 O\n0.500000 0.500000 0.768296 O\n0.349397 0.196497 0.011388 O\n0.650603 0.803503 0.011388 O\n0.803503 0.349397 0.988612 O\n0.196497 0.650603 0.988612 O\n0.849397 0.303503 0.511388 O\n0.150603 0.696497 0.511388 O\n0.303503 0.150603 0.488612 O\n0.696497 0.849397 0.488612 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "Na",
                "Ca",
                "Eu",
                "W",
                "O"
            ],
            "chemical_system": "Ca-Eu-Na-O-W",
            "density": 5.856311275840862,
            "density_atomic": 0.07126651710290532,
            "volume": 280.63669747072095,
            "volume_molar": 8.450168472951088,
            "formula_full": "Na2 Ca2 Eu2 W2 O12",
            "formula_reduced": "NaCaEuWO6",
            "formula_anonymous": "ABCDE6",
            "energy": -165.84022631,
            "energy_per_atom": -8.2920113155,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -148.72022631,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.9999991,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:23.224000Z",
            "spacegroup": 118
        },
        {
            "id": "mp-1517067",
            "created_at": "2022-09-04T14:43:22.396640Z",
            "structure_string": "Na1 La1 Gd1 Sb1 O6\n1.0\n0.000000 -4.191833 -4.191833\n4.191833 0.000000 -4.191833\n4.191833 -4.191833 0.000000\nNa La Gd Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 La\n0.000000 -0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 Sb\n0.736029 0.263971 0.263971 O\n0.263971 0.736029 0.736029 O\n0.736029 0.263971 0.736029 O\n0.263971 0.736029 0.263971 O\n0.736029 0.736029 0.263971 O\n0.263971 0.263971 0.736029 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Na",
                "La",
                "Gd",
                "Sb",
                "O"
            ],
            "chemical_system": "Gd-La-Na-O-Sb",
            "density": 6.052041743331976,
            "density_atomic": 0.06788254050632335,
            "volume": 147.31328446772682,
            "volume_molar": 8.871413348825724,
            "formula_full": "Na1 La1 Gd1 Sb1 O6",
            "formula_reduced": "NaLaGdSbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -82.23242822,
            "energy_per_atom": -8.223242822,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -78.11042822,
            "band_gap": 2.2363000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.9999998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:15.880000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1044121",
            "created_at": "2022-09-04T14:43:23.894683Z",
            "structure_string": "La2 Mg2 Fe2 Sn2 O12\n1.0\n5.640877 0.000000 0.000000\n0.000000 5.440892 0.000000\n0.000000 5.353709 7.932512\nLa Mg Fe Sn O\n2 2 2 2 12\ndirect\n0.291588 0.236802 0.751238 La\n0.708412 0.236802 0.251238 La\n0.807900 0.776983 0.751488 Mg\n0.192100 0.776983 0.251488 Mg\n0.751740 0.999981 0.999907 Fe\n0.248260 0.999981 0.499907 Fe\n0.751573 0.498910 0.502928 Sn\n0.248427 0.498910 0.002928 Sn\n0.281993 0.391685 0.251079 O\n0.443365 0.119789 0.063805 O\n0.441340 0.753061 0.436183 O\n0.558660 0.753061 0.936183 O\n0.556635 0.119789 0.563805 O\n0.718007 0.391685 0.751079 O\n0.808444 0.658524 0.247634 O\n0.978187 0.848919 0.433674 O\n0.967883 0.215348 0.062064 O\n0.032117 0.215348 0.562064 O\n0.021813 0.848919 0.933674 O\n0.191556 0.658524 0.747634 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "La",
                "Mg",
                "Fe",
                "Sn",
                "O"
            ],
            "chemical_system": "Fe-La-Mg-O-Sn",
            "density": 5.917019391142252,
            "density_atomic": 0.08214904566282459,
            "volume": 243.45991896349832,
            "volume_molar": 7.330749507081901,
            "formula_full": "La2 Mg2 Fe2 Sn2 O12",
            "formula_reduced": "LaMgFeSnO6",
            "formula_anonymous": "ABCDE6",
            "energy": -148.94849196,
            "energy_per_atom": -7.4474245980000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -136.19249196,
            "band_gap": 2.1909,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 10.0033697,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:17.708000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-690556",
            "created_at": "2022-09-04T14:45:17.187323Z",
            "structure_string": "Ca2 La2 Mn2 Ru2 O12\n1.0\n5.558990 0.000000 -0.025136\n0.000000 5.716248 0.000000\n0.011592 0.000000 7.921449\nCa La Mn Ru O\n2 2 2 2 12\ndirect\n0.484636 0.555665 0.250358 Ca\n0.984636 0.944335 0.750358 Ca\n0.011441 0.046832 0.250735 La\n0.511441 0.453168 0.750735 La\n0.000370 0.501610 0.499487 Mn\n0.500370 0.998390 0.999487 Mn\n0.000164 0.500753 0.000804 Ru\n0.500164 0.999247 0.500804 Ru\n0.093839 0.533439 0.759612 O\n0.196264 0.785322 0.052854 O\n0.216564 0.798612 0.449822 O\n0.288876 0.305935 0.050888 O\n0.309562 0.286828 0.445884 O\n0.398284 0.030477 0.739555 O\n0.593839 0.966561 0.259612 O\n0.696264 0.714678 0.552854 O\n0.716564 0.701388 0.949822 O\n0.788876 0.194065 0.550888 O\n0.809562 0.213172 0.945884 O\n0.898284 0.469523 0.239555 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "Ca",
                "La",
                "Mn",
                "Ru",
                "O"
            ],
            "chemical_system": "Ca-La-Mn-O-Ru",
            "density": 5.6862994466538535,
            "density_atomic": 0.0794539579679247,
            "volume": 251.71810834236769,
            "volume_molar": 7.579409401393342,
            "formula_full": "Ca2 La2 Mn2 Ru2 O12",
            "formula_reduced": "CaLaMnRuO6",
            "formula_anonymous": "ABCDE6",
            "energy": -161.68962184000003,
            "energy_per_atom": -8.084481092,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -150.10962184,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0004801,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:59.509000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-1522573",
            "created_at": "2022-09-04T14:47:15.132257Z",
            "structure_string": "Sm1 Eu1 Nb1 Cr1 O6\n1.0\n-0.000000 -3.991448 -3.991448\n3.991448 -0.000000 -3.991448\n3.991448 -3.991448 0.000000\nSm Eu Nb Cr O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sm\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Nb\n-0.000000 0.000000 0.000000 Cr\n0.753184 0.246816 0.246816 O\n0.246816 0.753184 0.753184 O\n0.753184 0.246816 0.753184 O\n0.246816 0.753184 0.246816 O\n0.753184 0.753184 0.246816 O\n0.246816 0.246816 0.753184 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Sm",
                "Eu",
                "Nb",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Eu-Nb-O-Sm",
            "density": 7.0926042564395715,
            "density_atomic": 0.07862824408650611,
            "volume": 127.18076202996582,
            "volume_molar": 7.659004509085174,
            "formula_full": "Sm1 Eu1 Nb1 Cr1 O6",
            "formula_reduced": "SmEuNbCrO6",
            "formula_anonymous": "ABCDE6",
            "energy": -94.15192127,
            "energy_per_atom": -9.415192127000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -88.03092127,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.00013,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:58.557000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1517874",
            "created_at": "2022-09-04T14:42:19.044342Z",
            "structure_string": "K1 La1 Ni1 W1 O6\n1.0\n-0.000000 -3.989953 -3.989953\n3.989953 0.000000 -3.989953\n3.989953 -3.989953 0.000000\nK La Ni W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n-0.000000 0.000000 -0.000000 Ni\n0.500000 0.500000 0.500000 W\n0.742970 0.257030 0.257030 O\n0.257030 0.742970 0.742970 O\n0.742970 0.257030 0.742970 O\n0.257030 0.742970 0.257030 O\n0.742970 0.742970 0.257030 O\n0.257030 0.257030 0.742970 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "K",
                "La",
                "Ni",
                "W",
                "O"
            ],
            "chemical_system": "K-La-Ni-O-W",
            "density": 6.751718300082124,
            "density_atomic": 0.07871666112429754,
            "volume": 127.03790858468324,
            "volume_molar": 7.650401673529749,
            "formula_full": "K1 La1 Ni1 W1 O6",
            "formula_reduced": "KLaNiWO6",
            "formula_anonymous": "ABCDE6",
            "energy": -78.5835359,
            "energy_per_atom": -7.85835359,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -67.4825359,
            "band_gap": 2.8449,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0000009,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:43.912000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1519780",
            "created_at": "2022-09-04T14:43:23.644996Z",
            "structure_string": "K4 La4 Y4 Bi4 O24\n1.0\n8.467824 0.000000 0.000000\n0.000000 8.592039 0.000000\n0.000000 0.000000 8.592186\nK La Y Bi O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 -0.000000 K\n-0.000000 0.500000 -0.000000 K\n-0.000000 -0.000000 0.500000 K\n-0.000000 0.500000 0.500000 La\n0.500000 -0.000000 -0.000000 La\n-0.000000 0.000000 -0.000000 La\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Y\n0.750000 0.750000 0.250000 Y\n0.750000 0.250000 0.750000 Y\n0.250000 0.750000 0.750000 Y\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.750000 Bi\n0.250000 0.750000 0.250000 Bi\n0.750000 0.250000 0.250000 Bi\n0.993815 0.210987 0.275241 O\n0.006185 0.789013 0.275241 O\n0.006185 0.210987 0.724759 O\n0.993815 0.789013 0.724759 O\n0.282290 0.994248 0.191087 O\n0.282290 0.005752 0.808913 O\n0.717710 0.005752 0.191087 O\n0.717710 0.994248 0.808913 O\n0.208381 0.259500 0.993470 O\n0.791619 0.259500 0.006530 O\n0.208381 0.740500 0.006530 O\n0.791619 0.740500 0.993470 O\n0.506185 0.289013 0.224759 O\n0.493815 0.710987 0.224759 O\n0.493815 0.289013 0.775241 O\n0.506185 0.710987 0.775241 O\n0.217710 0.505752 0.308913 O\n0.217710 0.494248 0.691087 O\n0.782290 0.494248 0.308913 O\n0.782290 0.505752 0.691087 O\n0.291619 0.240500 0.506530 O\n0.708381 0.240500 0.493470 O\n0.291619 0.759500 0.493470 O\n0.708381 0.759500 0.506530 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "K",
                "La",
                "Y",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-K-La-O-Y",
            "density": 6.076410987346035,
            "density_atomic": 0.0639864858026427,
            "volume": 625.1320024571183,
            "volume_molar": 9.41158228094358,
            "formula_full": "K4 La4 Y4 Bi4 O24",
            "formula_reduced": "KLaYBiO6",
            "formula_anonymous": "ABCDE6",
            "energy": -291.59669311,
            "energy_per_atom": -7.28991732775,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -275.10869311,
            "band_gap": 1.7059000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:14.025000Z",
            "spacegroup": 48
        },
        {
            "id": "mp-1519847",
            "created_at": "2022-09-04T14:39:38.081424Z",
            "structure_string": "Ca1 Pr1 Mn1 Sb1 O6\n1.0\n0.000000 -4.046981 -4.046981\n4.046981 0.000000 -4.046981\n4.046981 -4.046981 0.000000\nCa Pr Mn Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n0.743637 0.256363 0.256363 O\n0.256363 0.743637 0.743637 O\n0.743637 0.256363 0.743637 O\n0.256363 0.743637 0.256363 O\n0.743637 0.743637 0.256363 O\n0.256363 0.256363 0.743637 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "Ca",
                "Pr",
                "Mn",
                "Sb",
                "O"
            ],
            "chemical_system": "Ca-Mn-O-Pr-Sb",
            "density": 5.682969571346105,
            "density_atomic": 0.07543562762053747,
            "volume": 132.56335653893976,
            "volume_molar": 7.9831519269556175,
            "formula_full": "Ca1 Pr1 Mn1 Sb1 O6",
            "formula_reduced": "CaPrMnSbO6",
            "formula_anonymous": "ABCDE6",
            "energy": -75.81202954000001,
            "energy_per_atom": -7.581202954000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -70.02202954,
            "band_gap": 1.0769000000000002,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.9999996,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.285000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1522815",
            "created_at": "2022-09-04T14:43:21.792894Z",
            "structure_string": "K1 Ba1 La1 Mn1 O6\n1.0\n-0.000000 -4.282862 -4.282862\n4.282862 0.000000 -4.282862\n4.282862 -4.282862 0.000000\nK Ba La Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ba\n0.000000 -0.000000 0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.724636 0.275364 0.275364 O\n0.275364 0.724636 0.724636 O\n0.724636 0.275364 0.724636 O\n0.275364 0.724636 0.275364 O\n0.724636 0.724636 0.275364 O\n0.275364 0.275364 0.724636 O\n",
            "nsites": 10,
            "nelements": 5,
            "elements": [
                "K",
                "Ba",
                "La",
                "Mn",
                "O"
            ],
            "chemical_system": "Ba-K-La-Mn-O",
            "density": 4.927763716868012,
            "density_atomic": 0.06364550858732886,
            "volume": 157.1202779576954,
            "volume_molar": 9.46200430111567,
            "formula_full": "K1 Ba1 La1 Mn1 O6",
            "formula_reduced": "KBaLaMnO6",
            "formula_anonymous": "ABCDE6",
            "energy": -70.57614199000001,
            "energy_per_atom": -7.057614199000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.78614199,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.9999996,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:17.371000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-1105240",
            "created_at": "2022-09-04T14:43:23.711231Z",
            "structure_string": "K2 Nd2 Mn2 W2 O12\n1.0\n5.662192 0.000000 -0.055427\n0.000000 5.758181 0.000000\n0.003698 0.000000 8.270383\nK Nd Mn W O\n2 2 2 2 12\ndirect\n0.245325 0.753420 0.001989 K\n0.754675 0.253420 0.998011 K\n0.255129 0.822633 0.500965 Nd\n0.744871 0.322633 0.499035 Nd\n0.747572 0.777952 0.246469 Mn\n0.252428 0.277952 0.753531 Mn\n0.760661 0.769018 0.748851 W\n0.239339 0.269018 0.251149 W\n0.551930 0.033243 0.687849 O\n0.448070 0.533243 0.312151 O\n0.516433 0.065977 0.313374 O\n0.483567 0.565977 0.686626 O\n0.963717 0.459964 0.245739 O\n0.036283 0.959964 0.754261 O\n0.940054 0.483675 0.757770 O\n0.059946 0.983675 0.242230 O\n0.836243 0.740465 0.504690 O\n0.163757 0.240465 0.495310 O\n0.708496 0.777053 0.972056 O\n0.291504 0.277053 0.027944 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "K",
                "Nd",
                "Mn",
                "W",
                "O"
            ],
            "chemical_system": "K-Mn-Nd-O-W",
            "density": 6.381277310621236,
            "density_atomic": 0.07417073259792202,
            "volume": 269.6481388207338,
            "volume_molar": 8.119295238252397,
            "formula_full": "K2 Nd2 Mn2 W2 O12",
            "formula_reduced": "KNdMnWO6",
            "formula_anonymous": "ABCDE6",
            "energy": -168.4389867,
            "energy_per_atom": -8.421949334999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.9829867,
            "band_gap": 2.6477,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.9995739,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:16.979000Z",
            "spacegroup": 4
        }
    ]
}