GET /third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=11
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=10",
    "results": [
        {
            "id": "mp-1111795",
            "created_at": "2022-09-04T14:42:56.666026Z",
            "structure_string": "Rb2 Bi1 Au1 I6\n1.0\n0.000000 6.070201 6.070201\n6.070201 0.000000 6.070201\n6.070201 6.070201 0.000000\nRb Bi Au I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Au\n0.744656 0.255344 0.255344 I\n0.255344 0.255344 0.744656 I\n0.255344 0.744656 0.744656 I\n0.255344 0.744656 0.255344 I\n0.744656 0.255344 0.744656 I\n0.744656 0.744656 0.255344 I\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Bi",
                "Au",
                "I"
            ],
            "chemical_system": "Au-Bi-I-Rb",
            "density": 4.967826397169348,
            "density_atomic": 0.022354285258127358,
            "volume": 447.34152242082064,
            "volume_molar": 26.93953615810878,
            "formula_full": "Rb2 Bi1 Au1 I6",
            "formula_reduced": "Rb2BiAuI6",
            "formula_anonymous": "ABC2D6",
            "energy": -27.98908762,
            "energy_per_atom": -2.798908762,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.71508762,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0032234,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:56.202000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-573651",
            "created_at": "2022-09-04T14:42:56.676508Z",
            "structure_string": "Li88 Pb20\n1.0\n0.000000 10.017537 10.017537\n10.017537 0.000000 10.017537\n10.017537 10.017537 0.000000\nLi Pb\n88 20\ndirect\n0.979822 0.673393 0.673393 Li\n0.684228 0.331990 0.991891 Li\n0.172005 0.827995 0.172005 Li\n0.925634 0.582089 0.246139 Li\n0.500121 0.833293 0.833293 Li\n0.827995 0.172005 0.827995 Li\n0.246139 0.925634 0.582089 Li\n0.925634 0.246139 0.246139 Li\n0.579298 0.579298 0.262107 Li\n0.582089 0.925634 0.246139 Li\n0.743778 0.743778 0.436930 Li\n0.418447 0.744660 0.418447 Li\n0.418447 0.418447 0.418447 Li\n0.246139 0.246139 0.582089 Li\n0.173934 0.173934 0.173934 Li\n0.991891 0.991891 0.331990 Li\n0.331990 0.684228 0.991891 Li\n0.079479 0.079479 0.420521 Li\n0.827995 0.827995 0.172005 Li\n0.075513 0.743778 0.436930 Li\n0.493917 0.493917 0.183276 Li\n0.684228 0.991891 0.991891 Li\n0.684228 0.991891 0.331990 Li\n0.478197 0.173934 0.173934 Li\n0.172005 0.827995 0.827995 Li\n0.991891 0.331990 0.684228 Li\n0.991891 0.331990 0.991891 Li\n0.743778 0.075513 0.743778 Li\n0.075513 0.743778 0.743778 Li\n0.079479 0.420521 0.079479 Li\n0.246139 0.582089 0.925634 Li\n0.183276 0.828889 0.493917 Li\n0.743778 0.436930 0.743778 Li\n0.420521 0.079479 0.079479 Li\n0.925875 0.925875 0.222375 Li\n0.246139 0.246139 0.925634 Li\n0.925875 0.925875 0.925875 Li\n0.579298 0.579298 0.579298 Li\n0.833293 0.833293 0.833293 Li\n0.436930 0.075513 0.743778 Li\n0.750000 0.750000 0.750000 Li\n0.991891 0.684228 0.331990 Li\n0.183276 0.493917 0.828889 Li\n0.673393 0.673393 0.673393 Li\n0.828889 0.493917 0.183276 Li\n0.436930 0.743778 0.743778 Li\n0.262107 0.579298 0.579298 Li\n0.183276 0.493917 0.493917 Li\n0.493917 0.828889 0.183276 Li\n0.673393 0.673393 0.979822 Li\n0.743778 0.075513 0.436930 Li\n0.173934 0.173934 0.478197 Li\n0.079479 0.420521 0.420521 Li\n0.833293 0.500121 0.833293 Li\n0.833293 0.833293 0.500121 Li\n0.075513 0.436930 0.743778 Li\n0.172005 0.172005 0.827995 Li\n0.493917 0.828889 0.493917 Li\n0.420521 0.079479 0.420521 Li\n0.173934 0.478197 0.173934 Li\n0.827995 0.172005 0.172005 Li\n0.436930 0.743778 0.075513 Li\n0.222375 0.925875 0.925875 Li\n0.582089 0.246139 0.925634 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.420521 0.420521 0.079479 Li\n0.579298 0.262107 0.579298 Li\n0.925634 0.246139 0.582089 Li\n0.828889 0.183276 0.493917 Li\n0.991891 0.684228 0.991891 Li\n0.673393 0.979822 0.673393 Li\n0.331990 0.991891 0.684228 Li\n0.246139 0.582089 0.246139 Li\n0.493917 0.183276 0.828889 Li\n0.246139 0.925634 0.246139 Li\n0.991891 0.991891 0.684228 Li\n0.828889 0.493917 0.493917 Li\n0.743778 0.436930 0.075513 Li\n0.493917 0.183276 0.493917 Li\n0.743778 0.743778 0.075513 Li\n0.582089 0.246139 0.246139 Li\n0.250000 0.250000 0.250000 Li\n0.744660 0.418447 0.418447 Li\n0.331990 0.991891 0.991891 Li\n0.493917 0.493917 0.828889 Li\n0.418447 0.418447 0.744660 Li\n0.925875 0.222375 0.925875 Li\n0.088149 0.735552 0.088149 Pb\n0.324236 0.675764 0.675764 Pb\n0.333587 0.999238 0.333587 Pb\n0.324236 0.675764 0.324236 Pb\n0.999238 0.333587 0.333587 Pb\n0.925115 0.925115 0.574885 Pb\n0.088149 0.088149 0.735552 Pb\n0.574885 0.925115 0.925115 Pb\n0.675764 0.324236 0.675764 Pb\n0.574885 0.925115 0.574885 Pb\n0.333587 0.333587 0.999238 Pb\n0.675764 0.675764 0.324236 Pb\n0.925115 0.574885 0.925115 Pb\n0.675764 0.324236 0.324236 Pb\n0.925115 0.574885 0.574885 Pb\n0.324236 0.324236 0.675764 Pb\n0.574885 0.574885 0.925115 Pb\n0.735552 0.088149 0.088149 Pb\n0.333587 0.333587 0.333587 Pb\n0.088149 0.088149 0.088149 Pb\n",
            "nsites": 108,
            "nelements": 2,
            "elements": [
                "Li",
                "Pb"
            ],
            "chemical_system": "Li-Pb",
            "density": 3.927075229687916,
            "density_atomic": 0.053716894145420184,
            "volume": 2010.540663569022,
            "volume_molar": 11.210887851589309,
            "formula_full": "Li88 Pb20",
            "formula_reduced": "Li22Pb5",
            "formula_anonymous": "A5B22",
            "energy": -271.8762353,
            "energy_per_atom": -2.517372549074074,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -271.8762353,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.8142887,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:56.937000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-34287",
            "created_at": "2022-09-04T14:42:56.698902Z",
            "structure_string": "Ti6 Fe14 O30\n1.0\n2.577305 4.872387 0.000000\n-2.577305 4.872387 0.000000\n0.000000 1.876633 21.401590\nTi Fe O\n6 14 30\ndirect\n0.204923 0.699940 0.973676 Ti\n0.900597 0.409637 0.866283 Ti\n0.296647 0.803949 0.671644 Ti\n0.409637 0.900597 0.366283 Ti\n0.699940 0.204923 0.473676 Ti\n0.803949 0.296647 0.171644 Ti\n0.495276 0.994467 0.928970 Fe\n0.606130 0.108601 0.770899 Fe\n0.904742 0.402722 0.727264 Fe\n0.006857 0.510185 0.570365 Fe\n0.193714 0.703939 0.830679 Fe\n0.307404 0.803899 0.527972 Fe\n0.592226 0.090413 0.630576 Fe\n0.703939 0.193714 0.330679 Fe\n0.994467 0.495276 0.428970 Fe\n0.090413 0.592226 0.130576 Fe\n0.108601 0.606130 0.270899 Fe\n0.402722 0.904742 0.227264 Fe\n0.510185 0.006857 0.070365 Fe\n0.803899 0.307404 0.027972 Fe\n0.232968 0.434359 0.918677 O\n0.734437 0.850787 0.849302 O\n0.792398 0.947099 0.987946 O\n0.651135 0.407622 0.815049 O\n0.648979 0.550482 0.942123 O\n0.605756 0.850249 0.711590 O\n0.145141 0.001573 0.892756 O\n0.156066 0.239093 0.644183 O\n0.185192 0.354786 0.795454 O\n0.031220 0.829614 0.614482 O\n0.053218 0.935373 0.742985 O\n0.002123 0.258495 0.509560 O\n0.538465 0.392482 0.687770 O\n0.550482 0.648979 0.442123 O\n0.586563 0.755627 0.592907 O\n0.434359 0.232968 0.418677 O\n0.466109 0.326321 0.546886 O\n0.407622 0.651135 0.315049 O\n0.947099 0.792398 0.487946 O\n0.935373 0.053218 0.242985 O\n0.001573 0.145141 0.392756 O\n0.850249 0.605756 0.211590 O\n0.850787 0.734437 0.349302 O\n0.829614 0.031220 0.114482 O\n0.354786 0.185192 0.295454 O\n0.326321 0.466109 0.046886 O\n0.392482 0.538465 0.187770 O\n0.258495 0.002123 0.009560 O\n0.239093 0.156066 0.144183 O\n0.755627 0.586563 0.092907 O\n",
            "nsites": 50,
            "nelements": 3,
            "elements": [
                "Ti",
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O-Ti",
            "density": 4.785428291699018,
            "density_atomic": 0.0930221507986916,
            "volume": 537.5063849921569,
            "volume_molar": 6.47387821964304,
            "formula_full": "Ti6 Fe14 O30",
            "formula_reduced": "Ti3Fe7O15",
            "formula_anonymous": "A3B7C15",
            "energy": -427.82690653,
            "energy_per_atom": -8.5565381306,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -375.63290653,
            "band_gap": 9.999999999976694e-05,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 64.0156264,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:58.601000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1216663",
            "created_at": "2022-09-04T14:42:58.033464Z",
            "structure_string": "Tm2 Ga2 Au2\n1.0\n2.249046 5.201267 0.000000\n-2.249046 5.201267 0.000000\n0.000000 4.660829 5.245700\nTm Ga Au\n2 2 2\ndirect\n0.463743 0.463743 0.295820 Tm\n0.536257 0.536257 0.704180 Tm\n0.157983 0.157983 0.891460 Ga\n0.842017 0.842017 0.108540 Ga\n0.821947 0.821947 0.715529 Au\n0.178053 0.178053 0.284471 Au\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Tm",
                "Ga",
                "Au"
            ],
            "chemical_system": "Au-Ga-Tm",
            "density": 11.78826090544677,
            "density_atomic": 0.04888890593325828,
            "volume": 122.72722994028597,
            "volume_molar": 12.318010896421475,
            "formula_full": "Tm2 Ga2 Au2",
            "formula_reduced": "TmGaAu",
            "formula_anonymous": "ABC",
            "energy": -26.23103003,
            "energy_per_atom": -4.371838338333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.23103003,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000355,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.630000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1227047",
            "created_at": "2022-09-04T14:42:58.523440Z",
            "structure_string": "Ca1 Yb3\n1.0\n-2.756690 2.756690 5.349658\n2.756690 -2.756690 5.349658\n2.756690 2.756690 -5.349658\nCa Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.250000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n0.250000 0.750000 0.500000 Yb\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Ca",
                "Yb"
            ],
            "chemical_system": "Ca-Yb",
            "density": 5.710219926045654,
            "density_atomic": 0.024597904983270608,
            "volume": 162.61547488375365,
            "volume_molar": 24.482331987605225,
            "formula_full": "Ca1 Yb3",
            "formula_reduced": "CaYb3",
            "formula_anonymous": "AB3",
            "energy": -6.53247394,
            "energy_per_atom": -1.633118485,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -6.53247394,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016882,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:05.629000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-935925",
            "created_at": "2022-09-04T14:42:56.666675Z",
            "structure_string": "Li6 Cu2 P4 O16\n1.0\n-5.061337 0.000000 0.000000\n-0.019648 -6.879704 0.000000\n-0.092608 -0.068420 9.825548\nLi Cu P O\n6 2 4 16\ndirect\n0.248110 0.324756 0.003681 Li\n0.250968 0.313768 0.499945 Li\n0.261583 0.684495 0.249491 Li\n0.244899 0.678452 0.750750 Li\n0.740982 0.689660 0.741253 Li\n0.754946 0.309065 0.506289 Li\n0.754794 0.299800 0.996674 Cu\n0.760191 0.701519 0.274220 Cu\n0.003145 0.818009 0.498574 P\n0.002985 0.805124 0.998590 P\n0.487185 0.179862 0.748996 P\n0.501905 0.192939 0.244517 P\n0.002475 0.115518 0.524884 O\n0.009140 0.784991 0.335621 O\n0.182923 0.677005 0.553892 O\n0.191038 0.696718 0.058162 O\n0.313588 0.309871 0.299541 O\n0.307621 0.313027 0.811388 O\n0.507493 0.235217 0.085784 O\n0.495136 0.881774 0.777152 O\n0.504382 0.241258 0.595743 O\n0.512561 0.889970 0.277987 O\n0.673762 0.317037 0.814057 O\n0.685865 0.326660 0.304706 O\n0.811232 0.683881 0.543343 O\n0.821114 0.667175 0.073895 O\n0.989228 0.110500 0.029950 O\n0.981378 0.750944 0.847159 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Li",
                "Cu",
                "P",
                "O"
            ],
            "chemical_system": "Cu-Li-O-P",
            "density": 2.6627578462024535,
            "density_atomic": 0.08184011701677754,
            "volume": 342.1304981059581,
            "volume_molar": 7.358421492439262,
            "formula_full": "Li6 Cu2 P4 O16",
            "formula_reduced": "Li3Cu(PO4)2",
            "formula_anonymous": "AB2C3D8",
            "energy": -154.94468472,
            "energy_per_atom": -5.5337387399999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -143.95268472,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.4648199,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:12.298000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-584429",
            "created_at": "2022-09-04T14:42:56.667630Z",
            "structure_string": "Co4 P12 O36\n1.0\n5.120312 0.000000 0.000000\n0.000000 11.927023 0.000000\n0.000000 0.000000 12.944712\nCo P O\n4 12 36\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.239283 0.750000 0.000000 P\n0.239283 0.750000 0.500000 P\n0.495962 0.083413 0.631574 P\n0.495962 0.083413 0.868426 P\n0.495962 0.416587 0.131574 P\n0.495962 0.416587 0.368426 P\n0.504038 0.583413 0.631574 P\n0.504038 0.583413 0.868426 P\n0.504038 0.916587 0.131574 P\n0.504038 0.916587 0.368426 P\n0.760717 0.250000 0.000000 P\n0.760717 0.250000 0.500000 P\n0.087522 0.653976 0.045671 O\n0.087522 0.653976 0.454329 O\n0.087522 0.846024 0.545671 O\n0.087522 0.846024 0.954329 O\n0.208248 0.060940 0.618460 O\n0.208248 0.060940 0.881540 O\n0.208248 0.439060 0.118460 O\n0.208248 0.439060 0.381540 O\n0.316171 0.003178 0.091252 O\n0.316171 0.003178 0.408748 O\n0.316171 0.496822 0.591252 O\n0.316171 0.496822 0.908748 O\n0.438479 0.706130 0.586627 O\n0.438479 0.706130 0.913373 O\n0.438479 0.793870 0.086627 O\n0.438479 0.793870 0.413373 O\n0.443774 0.608140 0.750000 O\n0.443774 0.891860 0.250000 O\n0.556226 0.108140 0.750000 O\n0.556226 0.391860 0.250000 O\n0.561521 0.206130 0.586627 O\n0.561521 0.206130 0.913373 O\n0.561521 0.293870 0.086627 O\n0.561521 0.293870 0.413373 O\n0.683829 0.996822 0.591252 O\n0.683829 0.996822 0.908748 O\n0.683829 0.503178 0.091252 O\n0.683829 0.503178 0.408748 O\n0.791752 0.560940 0.618460 O\n0.791752 0.560940 0.881540 O\n0.791752 0.939060 0.118460 O\n0.791752 0.939060 0.381540 O\n0.912478 0.153976 0.045671 O\n0.912478 0.153976 0.454329 O\n0.912478 0.346024 0.545671 O\n0.912478 0.346024 0.954329 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Co",
                "P",
                "O"
            ],
            "chemical_system": "Co-O-P",
            "density": 2.4857556723702694,
            "density_atomic": 0.06577827337209805,
            "volume": 790.534584358024,
            "volume_molar": 9.155212582023298,
            "formula_full": "Co4 P12 O36",
            "formula_reduced": "Co(PO3)3",
            "formula_anonymous": "AB3C9",
            "energy": -392.15145618,
            "energy_per_atom": -7.5413741573076924,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -360.86745618,
            "band_gap": 1.5263,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006349,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.824000Z",
            "spacegroup": 57
        },
        {
            "id": "mp-542638",
            "created_at": "2022-09-04T14:42:56.681365Z",
            "structure_string": "K4 Mn2 P4 S12\n1.0\n12.331544 0.000000 0.000000\n0.000000 6.194050 0.000000\n0.000000 4.685066 7.506843\nK Mn P S\n4 2 4 12\ndirect\n0.317196 0.691222 0.529404 K\n0.817196 0.308778 0.970596 K\n0.682804 0.308778 0.470596 K\n0.182804 0.691222 0.029404 K\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.536245 0.649128 0.869370 P\n0.036245 0.350872 0.630630 P\n0.463755 0.350872 0.130630 P\n0.963755 0.649128 0.369370 P\n0.565714 0.449395 0.750946 S\n0.065714 0.550605 0.749054 S\n0.434286 0.550605 0.249054 S\n0.934286 0.449395 0.250946 S\n0.577102 0.070324 0.247805 S\n0.077102 0.929676 0.252195 S\n0.422898 0.929676 0.752195 S\n0.922898 0.070324 0.747805 S\n0.332647 0.214669 0.067718 S\n0.832647 0.785331 0.432282 S\n0.667353 0.785331 0.932282 S\n0.167353 0.214669 0.567718 S\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "K",
                "Mn",
                "P",
                "S"
            ],
            "chemical_system": "K-Mn-P-S",
            "density": 2.2442441940813422,
            "density_atomic": 0.03836835539371414,
            "volume": 573.3891842443746,
            "volume_molar": 15.695592626278174,
            "formula_full": "K4 Mn2 P4 S12",
            "formula_reduced": "K2Mn(PS3)2",
            "formula_anonymous": "AB2C2D6",
            "energy": -115.59858509,
            "energy_per_atom": -5.254481140454545,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -109.56258509,
            "band_gap": 0.1633999999999997,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 9.9984003,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:54.316000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-556310",
            "created_at": "2022-09-04T14:42:56.861753Z",
            "structure_string": "Li4 Al4 S12 Cl16 O24\n1.0\n9.759696 0.000000 0.000000\n0.000000 10.248609 0.000000\n0.000000 0.000000 13.697134\nLi Al S Cl O\n4 4 12 16 24\ndirect\n0.375414 0.750000 0.245911 Li\n0.875414 0.750000 0.254089 Li\n0.624586 0.250000 0.754089 Li\n0.124586 0.250000 0.745911 Li\n0.761224 0.750000 0.871232 Al\n0.238776 0.250000 0.128768 Al\n0.261224 0.750000 0.628768 Al\n0.738776 0.250000 0.371232 Al\n0.872497 0.042686 0.646030 S\n0.627503 0.542686 0.146030 S\n0.375231 0.250000 0.565665 S\n0.624769 0.750000 0.434335 S\n0.372497 0.457314 0.853970 S\n0.372497 0.042686 0.853970 S\n0.127503 0.957314 0.353970 S\n0.627503 0.957314 0.146030 S\n0.127503 0.542686 0.353970 S\n0.124769 0.750000 0.065665 S\n0.875231 0.250000 0.934335 S\n0.872497 0.457314 0.646030 S\n0.876581 0.578053 0.909453 Cl\n0.219023 0.750000 0.783191 Cl\n0.280977 0.250000 0.283191 Cl\n0.072148 0.750000 0.544563 Cl\n0.719023 0.750000 0.716809 Cl\n0.123419 0.078053 0.090547 Cl\n0.623419 0.078053 0.409453 Cl\n0.780977 0.250000 0.216809 Cl\n0.876581 0.921947 0.909453 Cl\n0.927852 0.250000 0.455437 Cl\n0.623419 0.421947 0.409453 Cl\n0.572148 0.750000 0.955437 Cl\n0.123419 0.421947 0.090547 Cl\n0.376581 0.921947 0.590547 Cl\n0.427852 0.250000 0.044563 Cl\n0.376581 0.578053 0.590547 Cl\n0.758782 0.750000 0.388154 O\n0.258782 0.750000 0.111846 O\n0.996523 0.591624 0.319400 O\n0.006440 0.750000 0.129467 O\n0.250398 0.106185 0.816746 O\n0.493560 0.250000 0.629467 O\n0.503477 0.408376 0.819400 O\n0.496523 0.591624 0.180600 O\n0.003477 0.091624 0.680600 O\n0.249602 0.893815 0.316746 O\n0.993560 0.250000 0.870533 O\n0.003477 0.408376 0.680600 O\n0.506440 0.750000 0.370533 O\n0.749602 0.893815 0.183254 O\n0.241218 0.250000 0.611846 O\n0.749602 0.606185 0.183254 O\n0.503477 0.091624 0.819400 O\n0.496523 0.908376 0.180600 O\n0.750398 0.106185 0.683254 O\n0.750398 0.393815 0.683254 O\n0.741218 0.250000 0.888154 O\n0.250398 0.393815 0.816746 O\n0.249602 0.606185 0.316746 O\n0.996523 0.908376 0.319400 O\n",
            "nsites": 60,
            "nelements": 5,
            "elements": [
                "Li",
                "Al",
                "S",
                "Cl",
                "O"
            ],
            "chemical_system": "Al-Cl-Li-O-S",
            "density": 1.78376885195211,
            "density_atomic": 0.043794576515913994,
            "volume": 1370.0326563997555,
            "volume_molar": 13.750882504393404,
            "formula_full": "Li4 Al4 S12 Cl16 O24",
            "formula_reduced": "LiAlS3(Cl2O3)2",
            "formula_anonymous": "ABC3D4E6",
            "energy": -326.75685416,
            "energy_per_atom": -5.445947569333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -300.44485416,
            "band_gap": 2.1247,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003057,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:58.179000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1009770",
            "created_at": "2022-09-04T14:42:56.908935Z",
            "structure_string": "Ru1 N1\n1.0\n0.000000 2.282137 2.282137\n2.282137 0.000000 2.282137\n2.282137 2.282137 0.000000\nRu N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 N\n",
            "nsites": 2,
            "nelements": 2,
            "elements": [
                "Ru",
                "N"
            ],
            "chemical_system": "N-Ru",
            "density": 8.038617506614047,
            "density_atomic": 0.08413464438476144,
            "volume": 23.771420377718293,
            "volume_molar": 7.1577419789875965,
            "formula_full": "Ru1 N1",
            "formula_reduced": "RuN",
            "formula_anonymous": "AB",
            "energy": -17.452562840000002,
            "energy_per_atom": -8.726281420000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -17.09156284,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003072,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:07.296000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-731661",
            "created_at": "2022-09-04T14:42:56.919679Z",
            "structure_string": "K8 I8 Cl4 O24\n1.0\n6.599707 0.000000 0.000000\n0.000000 8.736207 0.000000\n0.000000 0.000000 15.348198\nK I Cl O\n8 8 4 24\ndirect\n0.976111 0.478625 0.984303 K\n0.023889 0.978625 0.015697 K\n0.976111 0.978625 0.515697 K\n0.023889 0.478625 0.484303 K\n0.554356 0.989286 0.235217 K\n0.445644 0.489286 0.764783 K\n0.554356 0.489286 0.264783 K\n0.445644 0.989286 0.735217 K\n0.930280 0.247504 0.716899 I\n0.069720 0.747504 0.283101 I\n0.930280 0.747504 0.783101 I\n0.069720 0.247504 0.216899 I\n0.518554 0.234017 0.032429 I\n0.481446 0.734017 0.967571 I\n0.518554 0.734017 0.467571 I\n0.481446 0.234017 0.532429 I\n0.776930 0.720575 0.124214 Cl\n0.223070 0.220575 0.875786 Cl\n0.776930 0.220575 0.375786 Cl\n0.223070 0.720575 0.624214 Cl\n0.824088 0.316266 0.611781 O\n0.175912 0.816266 0.388219 O\n0.824088 0.816266 0.888219 O\n0.175912 0.316266 0.111781 O\n0.702511 0.233711 0.780700 O\n0.297489 0.733711 0.219300 O\n0.702511 0.733711 0.719300 O\n0.297489 0.233711 0.280700 O\n0.989368 0.047569 0.693008 O\n0.010632 0.547569 0.306992 O\n0.989368 0.547569 0.806992 O\n0.010632 0.047569 0.193008 O\n0.736165 0.202430 0.963137 O\n0.263835 0.702430 0.036863 O\n0.736165 0.702430 0.536863 O\n0.263835 0.202430 0.463137 O\n0.651142 0.294553 0.131634 O\n0.348858 0.794553 0.868366 O\n0.651142 0.794553 0.368366 O\n0.348858 0.294553 0.631634 O\n0.443139 0.037264 0.058060 O\n0.556861 0.537264 0.941940 O\n0.443139 0.537264 0.441940 O\n0.556861 0.037264 0.558060 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "K",
                "I",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-I-K-O",
            "density": 3.47865725216708,
            "density_atomic": 0.0497218996072044,
            "volume": 884.9219427977098,
            "volume_molar": 12.111646593501083,
            "formula_full": "K8 I8 Cl4 O24",
            "formula_reduced": "K2I2ClO6",
            "formula_anonymous": "AB2C2D6",
            "energy": -198.43165046,
            "energy_per_atom": -4.509810237727272,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.94365046,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0601755,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:06.940000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-1041001",
            "created_at": "2022-09-04T14:42:56.279654Z",
            "structure_string": "Cu8 Sb8 O32\n1.0\n9.045387 0.000000 0.000000\n0.000000 6.856499 0.000000\n0.000000 0.258198 11.031186\nCu Sb O\n8 8 32\ndirect\n0.884816 0.161456 0.890995 Cu\n0.962052 0.618570 0.626621 Cu\n0.037948 0.381430 0.373379 Cu\n0.115184 0.838544 0.109005 Cu\n0.615184 0.161456 0.390995 Cu\n0.537948 0.618570 0.126621 Cu\n0.384816 0.838544 0.609005 Cu\n0.462052 0.381430 0.873379 Cu\n0.578644 0.890694 0.880259 Sb\n0.921356 0.890694 0.380259 Sb\n0.876455 0.421638 0.105278 Sb\n0.078644 0.109306 0.619741 Sb\n0.123545 0.578362 0.894722 Sb\n0.376455 0.578362 0.394722 Sb\n0.623545 0.421638 0.605278 Sb\n0.421356 0.109306 0.119741 Sb\n0.709264 0.923868 0.365069 O\n0.984794 0.360731 0.584550 O\n0.309517 0.828162 0.455070 O\n0.809517 0.171838 0.044930 O\n0.790736 0.923868 0.865069 O\n0.290736 0.076132 0.634931 O\n0.943974 0.888195 0.577480 O\n0.069498 0.570167 0.088592 O\n0.430502 0.570167 0.588592 O\n0.125368 0.660971 0.723836 O\n0.625368 0.339029 0.776164 O\n0.930502 0.429833 0.911408 O\n0.056026 0.111805 0.422520 O\n0.459776 0.110441 0.291420 O\n0.760324 0.630855 0.597136 O\n0.739676 0.630855 0.097136 O\n0.959776 0.889559 0.208580 O\n0.569498 0.429833 0.411408 O\n0.540224 0.889559 0.708580 O\n0.690483 0.171838 0.544930 O\n0.515206 0.360731 0.084550 O\n0.874632 0.339029 0.276164 O\n0.209264 0.076132 0.134931 O\n0.556026 0.888195 0.077480 O\n0.190483 0.828162 0.955070 O\n0.260324 0.369145 0.902864 O\n0.015206 0.639269 0.415450 O\n0.484794 0.639269 0.915450 O\n0.443974 0.111805 0.922520 O\n0.239676 0.369145 0.402864 O\n0.374632 0.660971 0.223836 O\n0.040224 0.110441 0.791420 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Cu",
                "Sb",
                "O"
            ],
            "chemical_system": "Cu-O-Sb",
            "density": 4.840785703932281,
            "density_atomic": 0.07015998062157984,
            "volume": 684.1507020775337,
            "volume_molar": 8.58344131034111,
            "formula_full": "Cu8 Sb8 O32",
            "formula_reduced": "CuSbO4",
            "formula_anonymous": "ABC4",
            "energy": -280.47378691999995,
            "energy_per_atom": -5.843203894166666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -258.48978692,
            "band_gap": 0.3338000000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0009915,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:00.460000Z",
            "spacegroup": 14
        }
    ]
}