GET /third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=82
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_stable&page=83",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=81",
    "results": [
        {
            "id": "mp-1275319",
            "created_at": "2022-09-04T14:45:20.693709Z",
            "structure_string": "Li4 Mn2 Cr2 O8\n1.0\n2.109106 4.762655 0.003999\n-0.000972 0.005288 5.839634\n5.205179 -0.187974 -0.001000\nLi Mn Cr O\n4 2 2 8\ndirect\n0.497027 0.250046 0.002909 Li\n0.002806 0.750003 0.497056 Li\n0.500357 0.001145 0.500043 Li\n0.999889 0.498839 0.999555 Li\n0.996265 0.998644 0.994729 Mn\n0.505272 0.501204 0.503756 Mn\n0.501593 0.749977 0.998729 Cr\n0.999880 0.249968 0.500152 Cr\n0.755200 0.264217 0.280082 O\n0.279531 0.736118 0.755280 O\n0.219748 0.235674 0.744770 O\n0.744883 0.764027 0.220381 O\n0.228757 0.000572 0.230496 O\n0.735345 0.500207 0.736112 O\n0.269529 0.499513 0.271293 O\n0.763919 0.999846 0.764658 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Li",
                "Mn",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Li-Mn-O",
            "density": 4.173043249028706,
            "density_atomic": 0.10878261831403596,
            "volume": 147.08232112791092,
            "volume_molar": 5.535940257123761,
            "formula_full": "Li4 Mn2 Cr2 O8",
            "formula_reduced": "Li2MnCrO4",
            "formula_anonymous": "ABC2D4",
            "energy": -121.04683419,
            "energy_per_atom": -7.565427136875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -108.21683419,
            "band_gap": 1.3218999999999994,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.999944,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:00.733000Z",
            "spacegroup": 20
        },
        {
            "id": "mp-573677",
            "created_at": "2022-09-04T14:45:20.701697Z",
            "structure_string": "Ba4 Li6 Ta2 N8\n1.0\n2.859359 5.682845 0.000000\n-2.859359 5.682845 0.000000\n0.000000 5.375213 9.751238\nBa Li Ta N\n4 6 2 8\ndirect\n0.065337 0.628724 0.111717 Ba\n0.934663 0.371276 0.888283 Ba\n0.371276 0.934663 0.388283 Ba\n0.628724 0.065337 0.611717 Ba\n0.384362 0.615638 0.250000 Li\n0.615638 0.384362 0.750000 Li\n0.530332 0.117350 0.042356 Li\n0.882650 0.469668 0.457644 Li\n0.117350 0.530332 0.542356 Li\n0.469668 0.882650 0.957644 Li\n0.862532 0.137468 0.250000 Ta\n0.137468 0.862532 0.750000 Ta\n0.070021 0.206594 0.612729 N\n0.736314 0.417402 0.337643 N\n0.263686 0.582598 0.662357 N\n0.582598 0.263686 0.162357 N\n0.206594 0.070021 0.112729 N\n0.417402 0.736314 0.837643 N\n0.929979 0.793406 0.387271 N\n0.793406 0.929979 0.887271 N\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "Ba",
                "Li",
                "Ta",
                "N"
            ],
            "chemical_system": "Ba-Li-N-Ta",
            "density": 5.580010887120404,
            "density_atomic": 0.06311109961411755,
            "volume": 316.9014661808575,
            "volume_molar": 9.542126181957517,
            "formula_full": "Ba4 Li6 Ta2 N8",
            "formula_reduced": "Ba2Li3TaN4",
            "formula_anonymous": "AB2C3D4",
            "energy": -129.30441065,
            "energy_per_atom": -6.4652205325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -126.41641065,
            "band_gap": 2.2751,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004289,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:56.007000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1078624",
            "created_at": "2022-09-04T14:45:21.391531Z",
            "structure_string": "La2 Co2 C4\n1.0\n2.737071 2.735943 0.000000\n-2.737071 2.735943 0.000000\n0.000000 1.589165 7.266565\nLa Co C\n2 2 4\ndirect\n0.926764 0.073805 0.502044 La\n0.073805 0.926764 0.002044 La\n0.372610 0.512726 0.694723 Co\n0.512726 0.372610 0.194723 Co\n0.850684 0.490081 0.774422 C\n0.490081 0.850684 0.274422 C\n0.595447 0.443883 0.925812 C\n0.443883 0.595447 0.425812 C\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "La",
                "Co",
                "C"
            ],
            "chemical_system": "C-Co-La",
            "density": 6.770269586667012,
            "density_atomic": 0.07350852700443504,
            "volume": 108.83091154196751,
            "volume_molar": 8.192438354310463,
            "formula_full": "La2 Co2 C4",
            "formula_reduced": "LaCoC2",
            "formula_anonymous": "ABC2",
            "energy": -63.27951301,
            "energy_per_atom": -7.90993912625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -63.27951301,
            "band_gap": 0.0421999999999993,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0021589,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:04.697000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1180187",
            "created_at": "2022-09-04T14:45:20.128381Z",
            "structure_string": "Mn4 N4 F12\n1.0\n5.603628 0.000000 0.000000\n0.000000 5.658279 0.000000\n0.000000 0.000000 8.054709\nMn N F\n4 4 12\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.002791 0.497477 0.250000 N\n0.502791 0.002523 0.250000 N\n0.997209 0.502523 0.750000 N\n0.497209 0.997477 0.750000 N\n0.749225 0.733245 0.004231 F\n0.249225 0.766755 0.495769 F\n0.250775 0.266755 0.504231 F\n0.750775 0.233245 0.995769 F\n0.250775 0.266755 0.995769 F\n0.750775 0.233245 0.504231 F\n0.749225 0.733245 0.495769 F\n0.249225 0.766755 0.004231 F\n0.500626 0.489729 0.250000 F\n0.000626 0.010271 0.250000 F\n0.499374 0.510271 0.750000 F\n0.999374 0.989729 0.750000 F\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Mn",
                "N",
                "F"
            ],
            "chemical_system": "F-Mn-N",
            "density": 3.275435952262908,
            "density_atomic": 0.07831167013025293,
            "volume": 255.38977736951253,
            "volume_molar": 7.689965939921335,
            "formula_full": "Mn4 N4 F12",
            "formula_reduced": "MnNF3",
            "formula_anonymous": "ABC3",
            "energy": -114.66366724,
            "energy_per_atom": -5.733183362,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -102.44766724,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.000005,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:54.229000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1110869",
            "created_at": "2022-09-04T14:45:20.151680Z",
            "structure_string": "K2 Li1 Bi1 Cl6\n1.0\n0.000000 5.274899 5.274899\n5.274899 0.000000 5.274899\n5.274899 5.274899 0.000000\nK Li Bi Cl\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 Li\n0.000000 0.000000 0.000000 Bi\n0.743480 0.256520 0.256520 Cl\n0.256520 0.256520 0.743480 Cl\n0.256520 0.743480 0.743480 Cl\n0.256520 0.743480 0.256520 Cl\n0.743480 0.256520 0.743480 Cl\n0.743480 0.743480 0.256520 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "K",
                "Li",
                "Bi",
                "Cl"
            ],
            "chemical_system": "Bi-Cl-K-Li",
            "density": 2.8671083866646487,
            "density_atomic": 0.034066503335670364,
            "volume": 293.5434817441095,
            "volume_molar": 17.677601662435176,
            "formula_full": "K2 Li1 Bi1 Cl6",
            "formula_reduced": "K2LiBiCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -38.10168875,
            "energy_per_atom": -3.810168875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -34.41768875,
            "band_gap": 3.6182,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005039,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:03.987000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-836221",
            "created_at": "2022-09-04T14:45:20.167258Z",
            "structure_string": "W4 N8 O8 F32\n1.0\n9.294585 0.000000 0.000000\n0.000000 5.880461 0.000000\n0.000000 0.000000 12.596174\nW N O F\n4 8 8 32\ndirect\n0.227602 0.250000 0.129096 W\n0.727602 0.250000 0.370904 W\n0.772398 0.750000 0.870904 W\n0.272398 0.750000 0.629096 W\n0.495684 0.250000 0.771456 N\n0.995684 0.250000 0.728544 N\n0.504316 0.750000 0.228544 N\n0.004316 0.750000 0.271456 N\n0.246399 0.250000 0.435017 N\n0.746399 0.250000 0.064983 N\n0.753601 0.750000 0.564983 N\n0.253601 0.750000 0.935017 N\n0.549006 0.250000 0.693320 O\n0.049006 0.250000 0.806680 O\n0.450994 0.750000 0.306680 O\n0.950994 0.750000 0.193320 O\n0.131896 0.250000 0.457380 O\n0.631896 0.250000 0.042620 O\n0.868104 0.750000 0.542620 O\n0.368104 0.750000 0.957380 O\n0.275041 0.250000 0.977325 F\n0.775041 0.250000 0.522675 F\n0.724959 0.750000 0.022675 F\n0.224959 0.750000 0.477325 F\n0.025010 0.250000 0.170333 F\n0.525010 0.250000 0.329667 F\n0.974990 0.750000 0.829667 F\n0.474990 0.750000 0.670333 F\n0.140944 0.972553 0.067958 F\n0.640944 0.527447 0.432042 F\n0.859056 0.472553 0.932042 F\n0.359056 0.027447 0.567958 F\n0.859056 0.027447 0.932042 F\n0.359056 0.472553 0.567958 F\n0.140944 0.527447 0.067958 F\n0.640944 0.972553 0.432042 F\n0.400097 0.455579 0.121320 F\n0.900097 0.044421 0.378680 F\n0.599903 0.955579 0.878680 F\n0.099903 0.544421 0.621320 F\n0.599903 0.544421 0.878680 F\n0.099903 0.955579 0.621320 F\n0.400097 0.044421 0.121320 F\n0.900097 0.455579 0.378680 F\n0.225141 0.454959 0.256196 F\n0.725141 0.045041 0.243804 F\n0.774859 0.954959 0.743804 F\n0.274859 0.545041 0.756196 F\n0.774859 0.545041 0.743804 F\n0.274859 0.954959 0.756196 F\n0.225141 0.045041 0.256196 F\n0.725141 0.454959 0.243804 F\n",
            "nsites": 52,
            "nelements": 4,
            "elements": [
                "W",
                "N",
                "O",
                "F"
            ],
            "chemical_system": "F-N-O-W",
            "density": 3.8189863653886817,
            "density_atomic": 0.07553066613759502,
            "volume": 688.4620864493774,
            "volume_molar": 7.973106908695074,
            "formula_full": "W4 N8 O8 F32",
            "formula_reduced": "WN2(OF4)2",
            "formula_anonymous": "AB2C2D8",
            "energy": -315.60926643,
            "energy_per_atom": -6.069408969807692,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -277.57726643,
            "band_gap": 1.5059999999999998,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.064044,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:59.934000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1222936",
            "created_at": "2022-09-04T14:45:20.168828Z",
            "structure_string": "Li4 Al2 Ga2 Si4 H8 O20\n1.0\n0.000000 0.000000 -5.052861\n0.004339 -8.318503 0.000000\n-10.604594 0.005244 0.000000\nLi Al Ga Si H O\n4 2 2 4 8 20\ndirect\n0.243040 0.686539 0.186187 Li\n0.743040 0.313461 0.813813 Li\n0.740797 0.179328 0.311570 Li\n0.240797 0.820672 0.688430 Li\n0.247874 0.080808 0.156088 Al\n0.747874 0.919192 0.843912 Al\n0.745439 0.581751 0.344864 Ga\n0.245439 0.418249 0.655136 Ga\n0.748807 0.875107 0.142871 Si\n0.248807 0.124893 0.857129 Si\n0.247857 0.369926 0.353612 Si\n0.747857 0.630074 0.646388 Si\n0.655643 0.330237 0.037935 H\n0.155643 0.669763 0.962065 H\n0.154048 0.830237 0.464642 H\n0.654048 0.169763 0.535358 H\n0.884377 0.460464 0.018763 H\n0.384377 0.539536 0.981237 H\n0.384803 0.960824 0.481557 H\n0.884803 0.039176 0.518443 H\n0.220338 0.584760 0.017383 O\n0.720338 0.415240 0.982617 O\n0.720310 0.082837 0.481912 O\n0.220310 0.917163 0.518088 O\n0.867374 0.722453 0.223418 O\n0.367374 0.277547 0.776582 O\n0.364266 0.220052 0.269454 O\n0.864266 0.779948 0.730546 O\n0.391402 0.540667 0.311724 O\n0.891402 0.459333 0.688276 O\n0.909503 0.039184 0.186311 O\n0.409503 0.960816 0.813689 O\n0.817635 0.670619 0.499207 O\n0.317635 0.329381 0.500793 O\n0.304763 0.160000 0.005771 O\n0.804763 0.840000 0.994229 O\n0.929170 0.388245 0.324023 O\n0.429170 0.611755 0.675977 O\n0.432554 0.899251 0.175586 O\n0.932554 0.100749 0.824414 O\n",
            "nsites": 40,
            "nelements": 6,
            "elements": [
                "Li",
                "Al",
                "Ga",
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "Al-Ga-H-Li-O-Si",
            "density": 2.464598636519522,
            "density_atomic": 0.08973947580770497,
            "volume": 445.73471863945997,
            "volume_molar": 6.71069304316456,
            "formula_full": "Li4 Al2 Ga2 Si4 H8 O20",
            "formula_reduced": "Li2AlGaSi2(H2O5)2",
            "formula_anonymous": "ABC2D2E4F10",
            "energy": -267.75323101,
            "energy_per_atom": -6.6938307752499995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -254.01323101,
            "band_gap": 4.349,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0036189,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:03.258000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-556959",
            "created_at": "2022-09-04T14:45:20.171668Z",
            "structure_string": "V4 Zn4 Se8 O28\n1.0\n12.790761 0.000000 0.000000\n0.000000 7.576662 0.000000\n0.000000 4.065182 6.760275\nV Zn Se O\n4 4 8 28\ndirect\n0.754448 0.037092 0.222973 V\n0.254448 0.962908 0.277027 V\n0.745552 0.037092 0.722973 V\n0.245552 0.962908 0.777027 V\n0.992254 0.715905 0.487096 Zn\n0.507746 0.715905 0.987096 Zn\n0.492254 0.284095 0.012904 Zn\n0.007746 0.284095 0.512904 Zn\n0.488285 0.161708 0.660959 Se\n0.011715 0.161708 0.160959 Se\n0.988285 0.838292 0.839041 Se\n0.230494 0.463524 0.608274 Se\n0.511715 0.838292 0.339041 Se\n0.769506 0.536476 0.391726 Se\n0.269506 0.463524 0.108274 Se\n0.730494 0.536476 0.891726 Se\n0.904599 0.058107 0.712634 O\n0.228368 0.661931 0.880624 O\n0.269106 0.966459 0.485517 O\n0.728368 0.338069 0.619376 O\n0.463157 0.316388 0.752082 O\n0.730894 0.033541 0.514483 O\n0.036843 0.316388 0.252082 O\n0.593439 0.532646 0.923109 O\n0.771632 0.338069 0.119376 O\n0.263341 0.264020 0.572785 O\n0.769106 0.033541 0.014483 O\n0.906561 0.532646 0.423109 O\n0.763341 0.735980 0.927215 O\n0.963157 0.683612 0.747918 O\n0.536843 0.683612 0.247918 O\n0.236659 0.264020 0.072785 O\n0.404599 0.941893 0.787366 O\n0.595401 0.058107 0.212634 O\n0.271632 0.661931 0.380624 O\n0.907923 0.003253 0.306567 O\n0.406561 0.467354 0.076891 O\n0.736659 0.735980 0.427215 O\n0.095401 0.941893 0.287366 O\n0.092077 0.996747 0.693433 O\n0.230894 0.966459 0.985517 O\n0.592077 0.003253 0.806567 O\n0.407923 0.996747 0.193433 O\n0.093439 0.467354 0.576891 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "V",
                "Zn",
                "Se",
                "O"
            ],
            "chemical_system": "O-Se-V-Zn",
            "density": 3.9161313314791695,
            "density_atomic": 0.06716051473571498,
            "volume": 655.1468548617518,
            "volume_molar": 8.966787678292636,
            "formula_full": "V4 Zn4 Se8 O28",
            "formula_reduced": "VZnSe2O7",
            "formula_anonymous": "ABC2D7",
            "energy": -282.62387375000003,
            "energy_per_atom": -6.423269857954546,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -256.58787375,
            "band_gap": 1.971,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9984936,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:03.995000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1187929",
            "created_at": "2022-09-04T14:45:20.232654Z",
            "structure_string": "Yb2 Zn1 In1\n1.0\n0.000000 3.723962 3.723962\n3.723962 0.000000 3.723962\n3.723962 3.723962 0.000000\nYb Zn In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 In\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Yb",
                "Zn",
                "In"
            ],
            "chemical_system": "In-Yb-Zn",
            "density": 8.461405840688025,
            "density_atomic": 0.03872703727498867,
            "volume": 103.28701293613663,
            "volume_molar": 15.550223264533892,
            "formula_full": "Yb2 Zn1 In1",
            "formula_reduced": "Yb2ZnIn",
            "formula_anonymous": "ABC2",
            "energy": -8.71495735,
            "energy_per_atom": -2.1787393375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -8.71495735,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011555,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:02.010000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-715438",
            "created_at": "2022-09-04T14:45:20.248724Z",
            "structure_string": "Fe6 O8\n1.0\n2.942666 -0.001116 -0.005274\n1.468998 4.882617 -0.004146\n-0.022716 -0.004597 9.990235\nFe O\n6 8\ndirect\n0.870626 0.254699 0.573300 Fe\n0.131228 0.727940 0.423911 Fe\n0.863838 0.272427 0.924768 Fe\n0.128822 0.749838 0.075200 Fe\n0.617950 0.764849 0.739782 Fe\n0.384119 0.238238 0.239456 Fe\n0.964403 0.072402 0.753351 O\n0.041048 0.922900 0.254256 O\n0.769255 0.469800 0.109987 O\n0.224780 0.550474 0.886051 O\n0.770606 0.446589 0.385496 O\n0.234554 0.528245 0.613827 O\n0.506616 0.981699 0.509689 O\n0.492154 0.019899 0.010926 O\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O",
            "density": 5.356414639938137,
            "density_atomic": 0.09752388242193832,
            "volume": 143.5545801943038,
            "volume_molar": 6.175042061948612,
            "formula_full": "Fe6 O8",
            "formula_reduced": "Fe3O4",
            "formula_anonymous": "A3B4",
            "energy": -111.89190841,
            "energy_per_atom": -7.992279172142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -92.85990841,
            "band_gap": 0.5739999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 28.0001089,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:07.298000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-570552",
            "created_at": "2022-09-04T14:45:20.131282Z",
            "structure_string": "Cd13 I26\n1.0\n2.167936 -3.754976 0.000000\n2.167936 3.754976 0.000000\n0.000000 0.000000 101.764933\nCd I\n13 26\ndirect\n0.000000 0.000000 0.403793 Cd\n0.000000 0.000000 0.634617 Cd\n0.000000 0.000000 0.788493 Cd\n0.666667 0.333333 0.480729 Cd\n0.000000 0.000000 0.557639 Cd\n0.666667 0.333333 0.173175 Cd\n0.000000 0.000000 0.942360 Cd\n0.666667 0.333333 0.326899 Cd\n0.333333 0.666667 0.865429 Cd\n0.000000 0.000000 0.711551 Cd\n0.000000 0.000000 0.096155 Cd\n0.666667 0.333333 0.019150 Cd\n0.000000 0.000000 0.249954 Cd\n0.666667 0.333333 0.694644 I\n0.333333 0.666667 0.805417 I\n0.666667 0.333333 0.233033 I\n0.333333 0.666667 0.651543 I\n0.000000 0.000000 0.156223 I\n0.000000 0.000000 0.463839 I\n0.333333 0.666667 0.343845 I\n0.333333 0.666667 0.036065 I\n0.333333 0.666667 0.959302 I\n0.666667 0.333333 0.925430 I\n0.666667 0.333333 0.386888 I\n0.333333 0.666667 0.420713 I\n0.666667 0.333333 0.848483 I\n0.333333 0.666667 0.266884 I\n0.333333 0.666667 0.574585 I\n0.666667 0.333333 0.540691 I\n0.333333 0.666667 0.113075 I\n0.333333 0.666667 0.190094 I\n0.333333 0.666667 0.728447 I\n0.000000 0.000000 0.882367 I\n0.000000 0.000000 0.309974 I\n0.666667 0.333333 0.617698 I\n0.000000 0.000000 0.002237 I\n0.666667 0.333333 0.079233 I\n0.333333 0.666667 0.497650 I\n0.666667 0.333333 0.771597 I\n",
            "nsites": 39,
            "nelements": 2,
            "elements": [
                "Cd",
                "I"
            ],
            "chemical_system": "Cd-I",
            "density": 4.77147516289334,
            "density_atomic": 0.02353871971612276,
            "volume": 1656.844572276677,
            "volume_molar": 25.583977517159337,
            "formula_full": "Cd13 I26",
            "formula_reduced": "CdI2",
            "formula_anonymous": "AB2",
            "energy": -84.34671134,
            "energy_per_atom": -2.162736188205128,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.49271134,
            "band_gap": 2.4063,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0196624,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:04.205000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-1201830",
            "created_at": "2022-09-04T14:45:16.954161Z",
            "structure_string": "Ca4 Si4 B4 H4 O20\n1.0\n6.589900 0.000000 1.565775\n0.000000 7.831097 0.000000\n2.427299 0.000000 10.431821\nCa Si B H O\n4 4 4 4 20\ndirect\n0.040243 0.908173 0.653510 Ca\n0.959757 0.408173 0.846490 Ca\n0.959757 0.091827 0.346490 Ca\n0.040243 0.591827 0.153510 Ca\n0.445977 0.381193 0.822982 Si\n0.554023 0.881193 0.677018 Si\n0.554023 0.618807 0.177018 Si\n0.445977 0.118807 0.322982 Si\n0.656223 0.424202 0.335369 B\n0.343777 0.924202 0.164631 B\n0.343777 0.575798 0.664631 B\n0.656223 0.075798 0.835369 B\n0.275838 0.455942 0.311654 H\n0.724162 0.955942 0.188346 H\n0.724162 0.544058 0.688346 H\n0.275838 0.044058 0.811654 H\n0.243838 0.032075 0.450535 O\n0.756162 0.532075 0.049465 O\n0.756162 0.967925 0.549465 O\n0.243838 0.467925 0.950535 O\n0.847970 0.372366 0.328067 O\n0.152030 0.872366 0.171933 O\n0.152030 0.627634 0.671933 O\n0.847970 0.127634 0.828067 O\n0.473357 0.179467 0.856219 O\n0.526643 0.679467 0.643781 O\n0.526643 0.820533 0.143781 O\n0.473357 0.320533 0.356219 O\n0.373671 0.399816 0.691966 O\n0.626329 0.899816 0.808034 O\n0.626329 0.600184 0.308034 O\n0.373671 0.100184 0.191966 O\n0.298082 0.540755 0.239168 O\n0.701918 0.040755 0.260832 O\n0.701918 0.459245 0.760832 O\n0.298082 0.959245 0.739168 O\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "Ca",
                "Si",
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-Ca-H-O-Si",
            "density": 2.0893503416327786,
            "density_atomic": 0.07078488131195725,
            "volume": 508.5831795259187,
            "volume_molar": 8.507665264648423,
            "formula_full": "Ca4 Si4 B4 H4 O20",
            "formula_reduced": "CaSiBHO5",
            "formula_anonymous": "ABCDE5",
            "energy": -270.12932044,
            "energy_per_atom": -7.503592234444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -256.38932044,
            "band_gap": 4.7677,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005946,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:59.868000Z",
            "spacegroup": 14
        }
    ]
}