GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=39
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_theoretical&page=40",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=38",
    "results": [
        {
            "id": "mp-1217982",
            "created_at": "2022-09-04T14:39:08.359918Z",
            "structure_string": "Sr1 Nd1 Mn1 O4\n1.0\n-1.928475 1.928475 6.400513\n1.928475 -1.928475 6.400513\n1.928475 1.928475 -6.400513\nSr Nd Mn O\n1 1 1 4\ndirect\n0.645301 0.645301 0.000000 Sr\n0.358566 0.358566 0.000000 Nd\n0.002721 0.002721 0.000000 Mn\n0.832681 0.832681 0.000000 O\n0.177260 0.177260 0.000000 O\n0.991735 0.491735 0.500000 O\n0.491735 0.991735 0.500000 O\n",
            "nsites": 7,
            "nelements": 4,
            "elements": [
                "Sr",
                "Nd",
                "Mn",
                "O"
            ],
            "chemical_system": "Mn-Nd-O-Sr",
            "density": 6.117908324209578,
            "density_atomic": 0.07351826312439624,
            "volume": 95.21443655647417,
            "volume_molar": 8.191353418959675,
            "formula_full": "Sr1 Nd1 Mn1 O4",
            "formula_reduced": "SrNdMnO4",
            "formula_anonymous": "ABCD4",
            "energy": -56.27540006,
            "energy_per_atom": -8.039342865714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -51.85940006,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0000728,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.568000Z",
            "spacegroup": 107
        },
        {
            "id": "mp-807771",
            "created_at": "2022-09-04T14:39:07.547420Z",
            "structure_string": "Li3 V1 Cr3 O8\n1.0\n5.863727 0.000000 0.000000\n-2.919189 5.164287 0.000000\n-0.019564 -3.380908 4.894038\nLi V Cr O\n3 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.306255 0.038650 0.214072 O\n0.313223 0.547691 0.216124 O\n0.804097 0.550874 0.215063 O\n0.210867 0.973548 0.775081 O\n0.789133 0.026452 0.224919 O\n0.195903 0.449126 0.784937 O\n0.686777 0.452309 0.783876 O\n0.693745 0.961350 0.785928 O\n",
            "nsites": 15,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Li-O-V",
            "density": 3.986025890929894,
            "density_atomic": 0.10121381847464908,
            "volume": 148.20110757660066,
            "volume_molar": 5.949919537427944,
            "formula_full": "Li3 V1 Cr3 O8",
            "formula_reduced": "Li3VCr3O8",
            "formula_anonymous": "AB3C3D8",
            "energy": -111.19625594,
            "energy_per_atom": -7.413083729333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -98.00325594,
            "band_gap": 0.2483999999999997,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.0007847,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.199000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1038085",
            "created_at": "2022-09-04T14:39:08.224427Z",
            "structure_string": "Sr1 Mg30 Mn1 O32\n1.0\n8.636140 0.000000 0.000000\n0.000000 8.636140 0.000000\n0.000000 0.000000 8.600862\nSr Mg Mn O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Sr\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\n0.256840 0.000000 0.245105 Mg\n0.256840 0.000000 0.754895 Mg\n0.743160 0.000000 0.245105 Mg\n0.743160 0.000000 0.754895 Mg\n0.250329 0.500000 0.249463 Mg\n0.250329 0.500000 0.750537 Mg\n0.749671 0.500000 0.249463 Mg\n0.749671 0.500000 0.750537 Mg\n0.000000 0.256840 0.245105 Mg\n0.000000 0.256840 0.754895 Mg\n0.500000 0.250329 0.249463 Mg\n0.500000 0.250329 0.750537 Mg\n0.000000 0.743160 0.245105 Mg\n0.000000 0.743160 0.754895 Mg\n0.500000 0.749671 0.249463 Mg\n0.500000 0.749671 0.750537 Mg\n0.249841 0.249841 0.000000 Mg\n0.254928 0.254928 0.500000 Mg\n0.750159 0.249841 0.000000 Mg\n0.745072 0.254928 0.500000 Mg\n0.249841 0.750159 0.000000 Mg\n0.254928 0.745072 0.500000 Mg\n0.750159 0.750159 0.000000 Mg\n0.745072 0.745072 0.500000 Mg\n0.000000 0.000000 0.000000 Mn\n0.000000 0.261637 0.000000 O\n0.000000 0.269923 0.500000 O\n0.500000 0.251397 0.000000 O\n0.500000 0.253450 0.500000 O\n0.000000 0.738363 0.000000 O\n0.000000 0.730077 0.500000 O\n0.500000 0.748603 0.000000 O\n0.500000 0.746550 0.500000 O\n0.248946 0.248946 0.250480 O\n0.248946 0.248946 0.749520 O\n0.751054 0.248946 0.250480 O\n0.751054 0.248946 0.749520 O\n0.248946 0.751054 0.250480 O\n0.248946 0.751054 0.749520 O\n0.751054 0.751054 0.250480 O\n0.751054 0.751054 0.749520 O\n0.000000 0.000000 0.233948 O\n0.000000 0.000000 0.766052 O\n0.500000 0.000000 0.247791 O\n0.500000 0.000000 0.752209 O\n0.000000 0.500000 0.247791 O\n0.000000 0.500000 0.752209 O\n0.500000 0.500000 0.249819 O\n0.500000 0.500000 0.750181 O\n0.261637 0.000000 0.000000 O\n0.269923 0.000000 0.500000 O\n0.738363 0.000000 0.000000 O\n0.730077 0.000000 0.500000 O\n0.251397 0.500000 0.000000 O\n0.253450 0.500000 0.500000 O\n0.748603 0.500000 0.000000 O\n0.746550 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Sr",
                "Mg",
                "Mn",
                "O"
            ],
            "chemical_system": "Mg-Mn-O-Sr",
            "density": 3.58184022701639,
            "density_atomic": 0.0997696954187809,
            "volume": 641.4773517285137,
            "volume_molar": 6.03604204134553,
            "formula_full": "Sr1 Mg30 Mn1 O32",
            "formula_reduced": "SrMg30MnO32",
            "formula_anonymous": "ABC30D32",
            "energy": -407.76663928,
            "energy_per_atom": -6.37135373875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -384.11463928,
            "band_gap": 2.1231,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.0013543,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.873000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1197334",
            "created_at": "2022-09-04T14:39:07.239724Z",
            "structure_string": "V4 H12 C16 N4 O26\n1.0\n4.596978 7.937146 0.000000\n-4.596978 7.937146 0.000000\n0.000000 5.166143 15.603882\nV H C N O\n4 12 16 4 26\ndirect\n0.086575 0.836475 0.355749 V\n0.836475 0.086575 0.855749 V\n0.206940 0.884603 0.140555 V\n0.884603 0.206940 0.640555 V\n0.029686 0.060683 0.014940 H\n0.060683 0.029686 0.514940 H\n0.120882 0.168611 0.025393 H\n0.168611 0.120882 0.525393 H\n0.245347 0.305020 0.450789 H\n0.305020 0.245347 0.950789 H\n0.405196 0.133066 0.484097 H\n0.133066 0.405196 0.984097 H\n0.029479 0.656799 0.039395 H\n0.656799 0.029479 0.539395 H\n0.981062 0.693423 0.948867 H\n0.693423 0.981062 0.448867 H\n0.680818 0.560129 0.414846 C\n0.560129 0.680818 0.914846 C\n0.768888 0.385692 0.421364 C\n0.385692 0.768888 0.921364 C\n0.835214 0.515693 0.180917 C\n0.515693 0.835214 0.680917 C\n0.765742 0.488155 0.341397 C\n0.488155 0.765742 0.841397 C\n0.444412 0.331904 0.228158 C\n0.331904 0.444412 0.728158 C\n0.640178 0.957825 0.110940 C\n0.957825 0.640178 0.610940 C\n0.496679 0.401185 0.147426 C\n0.401185 0.496679 0.647426 C\n0.517809 0.236686 0.161921 C\n0.236686 0.517809 0.661921 C\n0.807966 0.503234 0.257236 N\n0.503234 0.807966 0.757236 N\n0.573021 0.092920 0.134475 N\n0.092920 0.573021 0.634475 N\n0.868203 0.870211 0.349352 O\n0.870211 0.868203 0.849352 O\n0.914311 0.985422 0.286139 O\n0.985422 0.914311 0.786139 O\n0.070843 0.933681 0.429296 O\n0.933681 0.070843 0.929296 O\n0.249372 0.880979 0.253006 O\n0.880979 0.249372 0.753006 O\n0.182660 0.046783 0.199571 O\n0.046783 0.182660 0.699571 O\n0.075157 0.779248 0.123554 O\n0.779248 0.075157 0.623554 O\n0.160616 0.687268 0.189637 O\n0.687268 0.160616 0.689637 O\n0.393942 0.811205 0.084630 O\n0.811205 0.393942 0.584630 O\n0.143453 0.599973 0.406809 O\n0.599973 0.143453 0.906809 O\n0.287531 0.610771 0.364166 O\n0.610771 0.287531 0.864166 O\n0.070635 0.082185 0.058208 O\n0.082185 0.070635 0.558208 O\n0.283258 0.185620 0.475950 O\n0.185620 0.283258 0.975950 O\n0.051960 0.605077 0.990047 O\n0.605077 0.051960 0.490047 O\n",
            "nsites": 62,
            "nelements": 5,
            "elements": [
                "V",
                "H",
                "C",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-V",
            "density": 1.2833758966184432,
            "density_atomic": 0.054449292631258576,
            "volume": 1138.6741131767553,
            "volume_molar": 11.060089982771924,
            "formula_full": "V4 H12 C16 N4 O26",
            "formula_reduced": "V2H6C8N2O13",
            "formula_anonymous": "A2B2C6D8E13",
            "energy": -405.50151893,
            "energy_per_atom": -6.5403470795161285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -379.39551893,
            "band_gap": 0.0447000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9987127,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:36.129000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1184479",
            "created_at": "2022-09-04T14:39:08.238162Z",
            "structure_string": "Gd3 In1\n1.0\n4.892010 0.000000 0.000000\n0.000000 4.892010 0.000000\n0.000000 0.000000 4.892010\nGd In\n3 1\ndirect\n0.500000 0.000000 0.500000 Gd\n0.000000 0.500000 0.500000 Gd\n0.500000 0.500000 0.000000 Gd\n0.000000 0.000000 0.000000 In\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "Gd",
                "In"
            ],
            "chemical_system": "Gd-In",
            "density": 8.319657649084412,
            "density_atomic": 0.03416630259755817,
            "volume": 117.0744182393876,
            "volume_molar": 17.625965650817587,
            "formula_full": "Gd3 In1",
            "formula_reduced": "Gd3In",
            "formula_anonymous": "AB3",
            "energy": -46.22265576,
            "energy_per_atom": -11.55566394,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -46.22265576,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 22.894672,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:37.889000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-1025787",
            "created_at": "2022-09-04T14:39:08.240726Z",
            "structure_string": "Mo1 W2 Se6\n1.0\n1.661978 -2.878630 0.000000\n1.661978 2.878630 0.000000\n0.000000 0.000000 30.713382\nMo W Se\n1 2 6\ndirect\n0.000000 0.000000 0.115631 Mo\n0.000000 0.000000 0.578336 W\n0.333333 0.666667 0.346999 W\n0.000000 0.000000 0.401718 Se\n0.333333 0.666667 0.061169 Se\n0.333333 0.666667 0.523578 Se\n0.333333 0.666667 0.170111 Se\n0.333333 0.666667 0.633070 Se\n0.000000 0.000000 0.292231 Se\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Mo",
                "W",
                "Se"
            ],
            "chemical_system": "Mo-Se-W",
            "density": 5.296585970386771,
            "density_atomic": 0.030624834800102262,
            "volume": 293.87913628745343,
            "volume_molar": 19.664239168336312,
            "formula_full": "Mo1 W2 Se6",
            "formula_reduced": "Mo(WSe3)2",
            "formula_anonymous": "AB2C6",
            "energy": -65.92433593,
            "energy_per_atom": -7.324926214444444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -63.09233593,
            "band_gap": 1.1669,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0002314,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:42.805000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-551736",
            "created_at": "2022-09-04T14:39:08.257410Z",
            "structure_string": "K4 C1 O4\n1.0\n5.411976 0.000000 0.000000\n0.000000 5.411976 0.000000\n0.000000 0.000000 5.411976\nK C O\n4 1 4\ndirect\n0.780842 0.219158 0.219158 K\n0.780842 0.780842 0.780842 K\n0.219158 0.780842 0.219158 K\n0.219158 0.219158 0.780842 K\n0.500000 0.500000 0.500000 C\n0.654900 0.654900 0.345100 O\n0.345100 0.654900 0.654900 O\n0.345100 0.345100 0.345100 O\n0.654900 0.345100 0.654900 O\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "K",
                "C",
                "O"
            ],
            "chemical_system": "C-K-O",
            "density": 2.434559753457738,
            "density_atomic": 0.05677732448421379,
            "volume": 158.5139856757839,
            "volume_molar": 10.606594824091049,
            "formula_full": "K4 C1 O4",
            "formula_reduced": "K4CO4",
            "formula_anonymous": "AB4C4",
            "energy": -47.36536833,
            "energy_per_atom": -5.262818703333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.61736833,
            "band_gap": 2.0567,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0001582,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:27.922000Z",
            "spacegroup": 215
        },
        {
            "id": "mp-1216383",
            "created_at": "2022-09-04T14:39:08.269326Z",
            "structure_string": "V1 Cr1 C2\n1.0\n4.813826 -1.460632 0.000000\n4.813826 1.460632 0.000000\n4.370635 0.000000 2.490767\nV Cr C\n1 1 2\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Cr\n0.248759 0.248759 0.248759 C\n0.751241 0.751241 0.751241 C\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "V",
                "Cr",
                "C"
            ],
            "chemical_system": "C-Cr-V",
            "density": 6.0189161382308605,
            "density_atomic": 0.11419989199533066,
            "volume": 35.02630282840854,
            "volume_molar": 5.273333148376559,
            "formula_full": "V1 Cr1 C2",
            "formula_reduced": "VCrC2",
            "formula_anonymous": "ABC2",
            "energy": -37.60498569,
            "energy_per_atom": -9.4012464225,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -37.60498569,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.2494029,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.634000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1223353",
            "created_at": "2022-09-04T14:39:08.846503Z",
            "structure_string": "K1 Rb1 In4 Au8\n1.0\n-4.561598 4.561598 4.140246\n4.561598 -4.561598 4.140246\n4.561598 4.561598 -4.140246\nK Rb In Au\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 Rb\n0.891203 0.391203 0.782406 In\n0.608797 0.108797 0.217594 In\n0.108797 0.891203 0.500000 In\n0.391203 0.608797 0.500000 In\n0.569764 0.067346 0.805441 Au\n0.261905 0.764322 0.194559 Au\n0.764322 0.569764 0.502418 Au\n0.067346 0.261905 0.497582 Au\n0.932654 0.430236 0.194559 Au\n0.235678 0.738095 0.805441 Au\n0.738095 0.932654 0.502418 Au\n0.430236 0.235678 0.497582 Au\n",
            "nsites": 14,
            "nelements": 4,
            "elements": [
                "K",
                "Rb",
                "In",
                "Au"
            ],
            "chemical_system": "Au-In-K-Rb",
            "density": 10.406300378199699,
            "density_atomic": 0.04062635685698477,
            "volume": 344.60387499877487,
            "volume_molar": 14.823236012029051,
            "formula_full": "K1 Rb1 In4 Au8",
            "formula_reduced": "KRb(InAu2)4",
            "formula_anonymous": "ABC4D8",
            "energy": -43.09881094,
            "energy_per_atom": -3.078486495714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -43.09881094,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.001344,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:23.550000Z",
            "spacegroup": 97
        },
        {
            "id": "mp-1221083",
            "created_at": "2022-09-04T14:39:08.304464Z",
            "structure_string": "Na2 Nb2 W2 O12\n1.0\n-3.706321 3.719976 5.252197\n3.706321 -3.719976 5.252197\n3.706321 3.719976 -5.252197\nNa Nb W O\n2 2 2 12\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.000000 Nb\n0.000000 0.000000 0.500000 Nb\n0.500000 0.000000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.317053 0.065558 0.624368 O\n0.317053 0.692685 0.251495 O\n0.306544 0.056544 0.250000 O\n0.941190 0.692685 0.875632 O\n0.941190 0.065558 0.248505 O\n0.928965 0.678965 0.250000 O\n0.682947 0.934442 0.375632 O\n0.682947 0.307315 0.748505 O\n0.693456 0.943456 0.750000 O\n0.058810 0.307315 0.124368 O\n0.058810 0.934442 0.751495 O\n0.071035 0.321035 0.750000 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Na",
                "Nb",
                "W",
                "O"
            ],
            "chemical_system": "Na-Nb-O-W",
            "density": 4.537291681688614,
            "density_atomic": 0.06214244522447373,
            "volume": 289.65709242659494,
            "volume_molar": 9.690865459584913,
            "formula_full": "Na2 Nb2 W2 O12",
            "formula_reduced": "NaNbWO6",
            "formula_anonymous": "ABCD6",
            "energy": -153.80793241000003,
            "energy_per_atom": -8.54488513388889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -136.68793241,
            "band_gap": 2.9255000000000004,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005408,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:28.269000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1048325",
            "created_at": "2022-09-04T14:39:07.566593Z",
            "structure_string": "Ba4 Y2 Cr6 O14\n1.0\n3.934750 4.031783 -0.000005\n-3.934755 4.031788 0.000003\n-0.000012 -0.000002 11.631823\nBa Y Cr O\n4 2 6 14\ndirect\n0.500019 0.999990 0.818682 Ba\n0.000017 0.499986 0.818682 Ba\n0.500020 0.999987 0.181311 Ba\n0.000023 0.499986 0.181311 Ba\n0.499987 0.000004 0.500032 Y\n0.999988 0.500005 0.500032 Y\n0.999961 0.000048 0.999888 Cr\n0.499991 0.500003 0.647093 Cr\n0.499992 0.499996 0.352912 Cr\n0.499960 0.500051 0.999886 Cr\n0.999993 0.000005 0.647092 Cr\n0.999992 0.999997 0.352945 Cr\n0.250037 0.249974 0.999963 O\n0.750038 0.749970 0.999962 O\n0.749995 0.249992 0.622239 O\n0.249984 0.750006 0.622239 O\n0.749984 0.250009 0.377855 O\n0.249997 0.749994 0.377854 O\n0.749990 0.750011 0.623432 O\n0.249986 0.250001 0.623432 O\n0.749985 0.749996 0.376637 O\n0.249993 0.250005 0.376637 O\n0.500016 0.499999 0.823147 O\n0.000015 0.999998 0.823148 O\n0.500021 0.499995 0.176793 O\n0.000015 0.999995 0.176802 O\n",
            "nsites": 26,
            "nelements": 4,
            "elements": [
                "Ba",
                "Y",
                "Cr",
                "O"
            ],
            "chemical_system": "Ba-Cr-O-Y",
            "density": 5.683162223710282,
            "density_atomic": 0.07044995641301428,
            "volume": 369.05629646630973,
            "volume_molar": 8.548111406478492,
            "formula_full": "Ba4 Y2 Cr6 O14",
            "formula_reduced": "Ba2YCr3O7",
            "formula_anonymous": "AB2C3D7",
            "energy": -218.21139349,
            "energy_per_atom": -8.392745903461538,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -196.59939349,
            "band_gap": 0.0078000000000004,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.7e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:25.240000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-1216419",
            "created_at": "2022-09-04T14:39:09.349318Z",
            "structure_string": "Yb16 Sb8 S45\n1.0\n12.377764 5.609533 0.000000\n-12.377764 5.609533 0.000000\n0.000000 5.501718 13.099478\nYb Sb S\n16 8 45\ndirect\n0.503337 0.659308 0.839557 Yb\n0.005506 0.164114 0.830694 Yb\n0.835886 0.994494 0.169306 Yb\n0.340692 0.496663 0.160443 Yb\n0.908552 0.252404 0.339291 Yb\n0.407211 0.751323 0.339357 Yb\n0.248677 0.592789 0.660643 Yb\n0.747596 0.091448 0.660709 Yb\n0.994494 0.835886 0.169306 Yb\n0.496663 0.340692 0.160443 Yb\n0.659308 0.503337 0.839557 Yb\n0.164114 0.005506 0.830694 Yb\n0.592789 0.248677 0.660643 Yb\n0.091448 0.747596 0.660709 Yb\n0.252404 0.908552 0.339291 Yb\n0.751323 0.407211 0.339357 Yb\n0.811994 0.312160 0.814735 Sb\n0.312160 0.811994 0.814735 Sb\n0.188006 0.687840 0.185265 Sb\n0.687840 0.188006 0.185265 Sb\n0.125685 0.125685 0.315612 Sb\n0.623670 0.623670 0.315890 Sb\n0.376330 0.376330 0.684110 Sb\n0.874315 0.874315 0.684388 Sb\n0.951845 0.225096 0.001221 S\n0.440012 0.734243 0.003083 S\n0.265757 0.559988 0.996917 S\n0.774904 0.048155 0.998779 S\n0.807529 0.013065 0.502237 S\n0.307581 0.512759 0.502449 S\n0.487241 0.692419 0.497551 S\n0.986935 0.192471 0.497763 S\n0.559988 0.265757 0.996917 S\n0.048155 0.774904 0.998779 S\n0.225096 0.951845 0.001221 S\n0.734243 0.440012 0.003083 S\n0.692419 0.487241 0.497551 S\n0.192471 0.986935 0.497763 S\n0.013065 0.807529 0.502237 S\n0.512759 0.307581 0.502449 S\n0.818476 0.475479 0.704450 S\n0.320296 0.976080 0.702246 S\n0.023920 0.679704 0.297754 S\n0.524521 0.181524 0.295550 S\n0.226630 0.069926 0.205323 S\n0.725731 0.569254 0.205569 S\n0.430746 0.274269 0.794431 S\n0.930074 0.773370 0.794677 S\n0.679704 0.023920 0.297754 S\n0.181524 0.524521 0.295550 S\n0.475479 0.818476 0.704450 S\n0.976080 0.320296 0.702246 S\n0.274269 0.430746 0.794431 S\n0.773370 0.930074 0.794677 S\n0.069926 0.226630 0.205323 S\n0.569254 0.725731 0.205569 S\n0.594563 0.094177 0.815106 S\n0.094177 0.594563 0.815106 S\n0.405437 0.905823 0.184894 S\n0.905823 0.405437 0.184894 S\n0.841911 0.841911 0.316751 S\n0.343337 0.343337 0.314803 S\n0.656663 0.656663 0.685197 S\n0.158089 0.158089 0.683249 S\n0.909270 0.909270 0.002474 S\n0.090730 0.090730 0.997526 S\n0.500000 0.500000 0.000000 S\n0.749995 0.250005 0.500000 S\n0.250005 0.749995 0.500000 S\n",
            "nsites": 69,
            "nelements": 3,
            "elements": [
                "Yb",
                "Sb",
                "S"
            ],
            "chemical_system": "S-Sb-Yb",
            "density": 4.733681015576521,
            "density_atomic": 0.037931166605174725,
            "volume": 1819.084572805803,
            "volume_molar": 15.876497611276834,
            "formula_full": "Yb16 Sb8 S45",
            "formula_reduced": "Yb16Sb8S45",
            "formula_anonymous": "A8B16C45",
            "energy": -329.31726687,
            "energy_per_atom": -4.772714012608696,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -306.68226687,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.2541166,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:33.106000Z",
            "spacegroup": 12
        }
    ]
}