GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=2
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=-formation_energy_per_atom&page=3",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom",
    "results": [
        {
            "id": "mp-1218777",
            "created_at": "2022-09-04T14:40:22.823237Z",
            "structure_string": "Sr2 La4 Mg2 Ru1 O12\n1.0\n-1.956655 1.956655 19.029525\n1.956655 -1.956655 19.029525\n1.956655 1.956655 -19.029525\nSr La Mg Ru O\n2 4 2 1 12\ndirect\n0.548471 0.548471 0.000000 Sr\n0.451529 0.451529 0.000000 Sr\n0.212546 0.212546 0.000000 La\n0.878838 0.878838 0.000000 La\n0.787454 0.787454 0.000000 La\n0.121162 0.121162 0.000000 La\n0.666379 0.666379 0.000000 Mg\n0.333621 0.333621 0.000000 Mg\n0.000000 0.000000 0.000000 Ru\n0.273739 0.273739 0.000000 O\n0.944291 0.944291 0.000000 O\n0.609820 0.609820 0.000000 O\n0.726261 0.726261 0.000000 O\n0.390180 0.390180 0.000000 O\n0.055709 0.055709 0.000000 O\n0.666807 0.166807 0.500000 O\n0.333193 0.833193 0.500000 O\n0.000000 0.500000 0.500000 O\n0.833193 0.333193 0.500000 O\n0.500000 0.000000 0.500000 O\n0.166807 0.666807 0.500000 O\n",
            "nsites": 21,
            "nelements": 5,
            "elements": [
                "Sr",
                "La",
                "Mg",
                "Ru",
                "O"
            ],
            "chemical_system": "La-Mg-O-Ru-Sr",
            "density": 6.111446130315872,
            "density_atomic": 0.07206142425058007,
            "volume": 291.4180536728839,
            "volume_molar": 8.35695494868258,
            "formula_full": "Sr2 La4 Mg2 Ru1 O12",
            "formula_reduced": "Sr2La4Mg2RuO12",
            "formula_anonymous": "AB2C2D4E12",
            "energy": -161.66992453,
            "energy_per_atom": -7.698567834761905,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
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            "formation_energy_per_atom": null,
            "energy_uncorrected": -153.42592453,
            "band_gap": 0.0,
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            "is_magnetic": false,
            "total_magnetization": 0.07055,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:48.202000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-864903",
            "created_at": "2022-09-04T14:40:22.825542Z",
            "structure_string": "Mg1 Ta1 Ru2\n1.0\n0.000000 3.134726 3.134726\n3.134726 0.000000 3.134726\n3.134726 3.134726 0.000000\nMg Ta Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ta",
                "Ru"
            ],
            "chemical_system": "Mg-Ru-Ta",
            "density": 10.98079486049745,
            "density_atomic": 0.06492788222460108,
            "volume": 61.60681456023843,
            "volume_molar": 9.275122726424334,
            "formula_full": "Mg1 Ta1 Ru2",
            "formula_reduced": "MgTaRu2",
            "formula_anonymous": "ABC2",
            "energy": -33.44188827,
            "energy_per_atom": -8.3604720675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.44188827,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0008393,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:04.775000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1039509",
            "created_at": "2022-09-04T14:40:22.869011Z",
            "structure_string": "Ce6 Mg6\n1.0\n5.751935 0.000000 0.000000\n0.000000 3.174702 0.000000\n0.000000 0.000000 17.248720\nCe Mg\n6 6\ndirect\n-0.000000 0.500000 0.493023 Ce\n-0.000000 0.500000 0.848358 Ce\n0.500000 0.500000 0.717151 Ce\n-0.000000 -0.000000 0.993023 Ce\n-0.000000 -0.000000 0.348358 Ce\n0.500000 0.000000 0.217150 Ce\n-0.000000 -0.000000 0.665760 Mg\n0.500000 0.000000 0.548512 Mg\n0.500000 -0.000000 0.893863 Mg\n-0.000000 0.500000 0.165760 Mg\n0.500000 0.500000 0.048512 Mg\n0.500000 0.500000 0.393863 Mg\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Ce",
                "Mg"
            ],
            "chemical_system": "Ce-Mg",
            "density": 5.20096373490749,
            "density_atomic": 0.0380984615226669,
            "volume": 314.97334853956056,
            "volume_molar": 15.806782004614787,
            "formula_full": "Ce6 Mg6",
            "formula_reduced": "CeMg",
            "formula_anonymous": "AB",
            "energy": -44.39656333,
            "energy_per_atom": -3.6997136108333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.39656333,
            "band_gap": 0.0259,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 4.1336014,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:49.273000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-27510",
            "created_at": "2022-09-04T14:40:22.797934Z",
            "structure_string": "Mg2 Mn4 O8\n1.0\n-1.420334 4.940862 -2.696655\n5.151773 0.010973 3.564004\n5.140939 -0.003445 -2.696688\nMg Mn O\n2 4 8\ndirect\n0.625000 0.750000 0.625000 Mg\n0.375000 0.250000 0.375000 Mg\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.000001 0.000000 Mn\n0.777354 0.507691 0.246248 O\n0.246248 0.992308 0.777355 O\n0.246057 0.992308 0.230337 O\n0.222646 0.492308 0.753752 O\n0.769663 0.492308 0.753943 O\n0.753752 0.007691 0.222646 O\n0.230337 0.507691 0.246058 O\n0.753943 0.007691 0.769663 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mg",
                "Mn",
                "O"
            ],
            "chemical_system": "Mg-Mn-O",
            "density": 4.129164449799412,
            "density_atomic": 0.0878322824847178,
            "volume": 159.3946963912261,
            "volume_molar": 6.856409271895911,
            "formula_full": "Mg2 Mn4 O8",
            "formula_reduced": "MgMn2O4",
            "formula_anonymous": "AB2C4",
            "energy": -112.21069352,
            "energy_per_atom": -8.015049537142858,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -100.04269352,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:47.998000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-1180331",
            "created_at": "2022-09-04T14:40:22.811694Z",
            "structure_string": "Mn6 V4 Si6\n1.0\n3.533764 -6.120659 0.000000\n3.533764 6.120659 0.000000\n0.000000 0.000000 4.795800\nMn V Si\n6 4 6\ndirect\n0.739033 0.739033 0.250000 Mn\n0.260967 0.000000 0.250000 Mn\n0.000000 0.260967 0.250000 Mn\n0.260967 0.260967 0.750000 Mn\n0.739033 0.000000 0.750000 Mn\n0.000000 0.739033 0.750000 Mn\n0.666667 0.333333 0.500000 V\n0.333333 0.666667 0.500000 V\n0.333333 0.666667 0.000000 V\n0.666667 0.333333 0.000000 V\n0.380656 0.380656 0.250000 Si\n0.619344 0.000000 0.250000 Si\n0.000000 0.619344 0.250000 Si\n0.619344 0.619344 0.750000 Si\n0.380656 0.000000 0.750000 Si\n0.000000 0.380656 0.750000 Si\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Mn",
                "V",
                "Si"
            ],
            "chemical_system": "Mn-Si-V",
            "density": 5.618262835575665,
            "density_atomic": 0.07712464840936768,
            "volume": 207.4563752313536,
            "volume_molar": 7.808321832516181,
            "formula_full": "Mn6 V4 Si6",
            "formula_reduced": "Mn3V2Si3",
            "formula_anonymous": "A2B3C3",
            "energy": -129.22094231,
            "energy_per_atom": -8.076308894375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
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            "formation_energy_per_atom": null,
            "energy_uncorrected": -129.64694231,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.9011701,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:51.020000Z",
            "spacegroup": 193
        },
        {
            "id": "mp-1181570",
            "created_at": "2022-09-04T14:40:22.819340Z",
            "structure_string": "Fe12 O16\n1.0\n2.933176 0.000000 0.000000\n0.000000 9.868186 0.000000\n0.000000 0.005874 9.993334\nFe O\n12 16\ndirect\n0.271928 0.867634 0.737177 Fe\n0.260184 0.630144 0.260877 Fe\n0.739816 0.130144 0.260877 Fe\n0.728072 0.367634 0.737177 Fe\n0.239360 0.123041 0.574633 Fe\n0.760640 0.623041 0.574633 Fe\n0.760903 0.616446 0.923771 Fe\n0.751636 0.882700 0.424883 Fe\n0.750549 0.878517 0.071162 Fe\n0.248364 0.382700 0.424883 Fe\n0.239097 0.116446 0.923771 Fe\n0.249451 0.378517 0.071162 Fe\n0.757236 0.539152 0.377397 O\n0.739503 0.978865 0.890566 O\n0.753540 0.519463 0.118655 O\n0.242764 0.039152 0.377397 O\n0.260497 0.478865 0.890566 O\n0.246460 0.019463 0.118655 O\n0.256941 0.482303 0.612607 O\n0.743059 0.982303 0.612607 O\n0.758831 0.774594 0.245802 O\n0.224753 0.213000 0.753742 O\n0.775247 0.713000 0.753742 O\n0.241169 0.274594 0.245802 O\n0.743815 0.248371 0.003824 O\n0.259009 0.745772 0.504903 O\n0.740991 0.245772 0.504903 O\n0.256185 0.748371 0.003824 O\n",
            "nsites": 28,
            "nelements": 2,
            "elements": [
                "Fe",
                "O"
            ],
            "chemical_system": "Fe-O",
            "density": 5.316617117936567,
            "density_atomic": 0.09679929160564363,
            "volume": 289.258315175186,
            "volume_molar": 6.221265321376479,
            "formula_full": "Fe12 O16",
            "formula_reduced": "Fe3O4",
            "formula_anonymous": "A3B4",
            "energy": -223.16201874,
            "energy_per_atom": -7.970072097857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
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            "formation_energy_per_atom": null,
            "energy_uncorrected": -185.09801874,
            "band_gap": 0.3250999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 55.9994716,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:52.586000Z",
            "spacegroup": 7
        },
        {
            "id": "mp-38951",
            "created_at": "2022-09-04T14:40:22.834278Z",
            "structure_string": "Mg2 Ga4 O8\n1.0\n-2.941601 2.994990 4.173134\n2.941601 -2.994990 4.173134\n2.941601 2.994990 -4.173134\nMg Ga O\n2 4 8\ndirect\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.885150 0.135150 0.750000 Ga\n0.114850 0.864850 0.250000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.247405 0.738155 0.509251 O\n0.728904 0.738155 0.990749 O\n0.250861 0.264782 0.513921 O\n0.250861 0.736940 0.986079 O\n0.749139 0.263060 0.013921 O\n0.749139 0.735218 0.486079 O\n0.271096 0.261845 0.009251 O\n0.752595 0.261845 0.490749 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Mg",
                "Ga",
                "O"
            ],
            "chemical_system": "Ga-Mg-O",
            "density": 5.1431992145726495,
            "density_atomic": 0.09519772567781798,
            "volume": 147.0623368396514,
            "volume_molar": 6.32592923530653,
            "formula_full": "Mg2 Ga4 O8",
            "formula_reduced": "Mg(GaO2)2",
            "formula_anonymous": "AB2C4",
            "energy": -90.41994691,
            "energy_per_atom": -6.458567636428571,
            "energy_above_hull": null,
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            "band_gap": 2.4348999999999994,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6e-07,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:54.294000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1201413",
            "created_at": "2022-09-04T14:40:22.836754Z",
            "structure_string": "B4 Pb28 Br12 O28\n1.0\n4.538330 8.323681 0.000000\n-4.538330 8.323681 0.000000\n0.000000 3.007192 21.531546\nB Pb Br O\n4 28 12 28\ndirect\n0.720556 0.715287 0.284729 B\n0.284713 0.279444 0.215271 B\n0.279444 0.284713 0.715271 B\n0.715287 0.720556 0.784729 B\n0.753033 0.624738 0.422524 Pb\n0.375262 0.246967 0.077476 Pb\n0.246967 0.375262 0.577476 Pb\n0.624738 0.753033 0.922524 Pb\n0.621074 0.316619 0.447177 Pb\n0.683381 0.378926 0.052823 Pb\n0.378926 0.683381 0.552823 Pb\n0.316619 0.621074 0.947177 Pb\n0.072172 0.150053 0.484495 Pb\n0.849947 0.927828 0.015505 Pb\n0.927828 0.849947 0.515505 Pb\n0.150053 0.072172 0.984495 Pb\n0.433671 0.102966 0.354230 Pb\n0.897034 0.566329 0.145770 Pb\n0.566329 0.897034 0.645770 Pb\n0.102966 0.433671 0.854230 Pb\n0.701496 0.221998 0.613554 Pb\n0.778002 0.298504 0.886446 Pb\n0.298504 0.778002 0.386446 Pb\n0.221998 0.701496 0.113554 Pb\n0.980469 0.249174 0.317380 Pb\n0.750826 0.019531 0.182620 Pb\n0.019531 0.750826 0.682620 Pb\n0.249174 0.980469 0.817380 Pb\n0.126445 0.592755 0.283888 Pb\n0.407245 0.873555 0.216112 Pb\n0.873555 0.407245 0.716112 Pb\n0.592755 0.126445 0.783888 Pb\n0.190951 0.472440 0.416298 Br\n0.527560 0.809049 0.083702 Br\n0.809049 0.527560 0.583702 Br\n0.472440 0.190951 0.916298 Br\n0.540863 0.459137 0.250000 Br\n0.459137 0.540863 0.750000 Br\n0.500000 0.000000 0.500000 Br\n0.000000 0.500000 0.000000 Br\n0.886222 0.962168 0.348780 Br\n0.037832 0.113778 0.151220 Br\n0.113778 0.037832 0.651220 Br\n0.962168 0.886222 0.848780 Br\n0.520557 0.610517 0.450386 O\n0.389483 0.479443 0.049614 O\n0.479443 0.389483 0.549614 O\n0.610517 0.520557 0.950386 O\n0.831527 0.138031 0.518397 O\n0.861969 0.168473 0.981603 O\n0.168473 0.861969 0.481603 O\n0.138031 0.831527 0.018397 O\n0.587338 0.795606 0.328440 O\n0.204394 0.412662 0.171560 O\n0.412662 0.204394 0.671560 O\n0.795606 0.587338 0.828440 O\n0.219528 0.064183 0.374972 O\n0.935817 0.780472 0.125028 O\n0.780472 0.935817 0.625028 O\n0.064183 0.219528 0.874972 O\n0.862958 0.342242 0.410790 O\n0.657758 0.137042 0.089210 O\n0.137042 0.657758 0.589210 O\n0.342242 0.862958 0.910790 O\n0.878267 0.588611 0.302677 O\n0.411389 0.121733 0.197323 O\n0.121733 0.411389 0.697323 O\n0.588611 0.878267 0.802677 O\n0.692673 0.762628 0.221931 O\n0.237372 0.307327 0.278069 O\n0.307327 0.237372 0.778069 O\n0.762628 0.692673 0.721931 O\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "B",
                "Pb",
                "Br",
                "O"
            ],
            "chemical_system": "B-Br-O-Pb",
            "density": 7.402369027342132,
            "density_atomic": 0.044260446115922544,
            "volume": 1626.734620148762,
            "volume_molar": 13.606145641251358,
            "formula_full": "B4 Pb28 Br12 O28",
            "formula_reduced": "BPb7Br3O7",
            "formula_anonymous": "AB3C7D7",
            "energy": -409.85274081,
            "energy_per_atom": -5.692399177916666,
            "energy_above_hull": null,
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            "energy_uncorrected": -384.20874081,
            "band_gap": 1.9254,
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            "total_magnetization": 0.00784,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:05.067000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1026747",
            "created_at": "2022-09-04T14:40:22.847209Z",
            "structure_string": "Cs1 Ce1 Mg14\n1.0\n6.614512 -0.000000 -0.000000\n-3.307256 5.728334 -0.000000\n-0.000000 -0.000000 10.401759\nCs Ce Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Ce\n0.170915 0.835457 0.125000 Mg\n0.172180 0.836089 0.625000 Mg\n0.664543 0.329085 0.125000 Mg\n0.663911 0.327820 0.625000 Mg\n0.664543 0.835457 0.125000 Mg\n0.663911 0.836089 0.625000 Mg\n0.342998 0.157002 0.365573 Mg\n0.342998 0.157002 0.884427 Mg\n0.342998 0.685997 0.365573 Mg\n0.342998 0.685997 0.884427 Mg\n0.814003 0.157002 0.365573 Mg\n0.814003 0.157002 0.884427 Mg\n0.833333 0.666667 0.372286 Mg\n0.833333 0.666667 0.877714 Mg\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Cs",
                "Ce",
                "Mg"
            ],
            "chemical_system": "Ce-Cs-Mg",
            "density": 2.5839439012330114,
            "density_atomic": 0.04059635619270561,
            "volume": 394.12404216895936,
            "volume_molar": 14.834190367760305,
            "formula_full": "Cs1 Ce1 Mg14",
            "formula_reduced": "CsCeMg14",
            "formula_anonymous": "ABC14",
            "energy": -26.07692595,
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            "updated_at": "2021-11-28T01:34:47.600000Z",
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        {
            "id": "mp-1042617",
            "created_at": "2022-09-04T14:40:22.905398Z",
            "structure_string": "Mg8 Co8 Bi16 O56\n1.0\n15.018085 0.000000 0.000000\n0.000000 7.173688 0.000000\n0.000000 2.455977 11.320020\nMg Co Bi O\n8 8 16 56\ndirect\n0.490645 0.948707 0.864445 Mg\n0.891524 0.792695 0.887800 Mg\n0.391524 0.207305 0.612200 Mg\n0.108476 0.207305 0.112200 Mg\n0.608476 0.792695 0.387800 Mg\n0.009355 0.948707 0.364445 Mg\n0.509355 0.051293 0.135555 Mg\n0.990645 0.051293 0.635555 Mg\n0.675453 0.344514 0.088250 Co\n0.175453 0.655486 0.411750 Co\n0.324547 0.655486 0.911750 Co\n0.824547 0.344514 0.588250 Co\n0.749409 0.004264 0.256989 Co\n0.249409 0.995736 0.243011 Co\n0.250591 0.995736 0.743011 Co\n0.750591 0.004264 0.756989 Co\n0.902367 0.126286 0.034071 Bi\n0.994001 0.585923 0.663391 Bi\n0.505999 0.585923 0.163391 Bi\n0.005999 0.414077 0.336609 Bi\n0.716179 0.478223 0.808077 Bi\n0.216179 0.521777 0.691923 Bi\n0.283821 0.521777 0.191923 Bi\n0.783821 0.478223 0.308077 Bi\n0.494001 0.414077 0.836609 Bi\n0.197778 0.125359 0.484628 Bi\n0.697778 0.874641 0.015372 Bi\n0.802222 0.874641 0.515372 Bi\n0.402367 0.873714 0.465929 Bi\n0.597633 0.126286 0.534071 Bi\n0.097633 0.873714 0.965929 Bi\n0.302222 0.125359 0.984628 Bi\n0.044030 0.162803 0.975767 O\n0.544030 0.837197 0.524233 O\n0.955970 0.837197 0.024233 O\n0.455970 0.162803 0.475767 O\n0.817214 0.027193 0.894870 O\n0.317214 0.972807 0.605130 O\n0.182786 0.972807 0.105130 O\n0.682786 0.027193 0.394870 O\n0.808860 0.917729 0.140460 O\n0.308860 0.082271 0.359540 O\n0.191140 0.082271 0.859540 O\n0.691140 0.917729 0.640460 O\n0.315123 0.418099 0.871043 O\n0.815123 0.581901 0.628957 O\n0.684877 0.581901 0.128957 O\n0.184877 0.418099 0.371043 O\n0.355286 0.996418 0.153095 O\n0.855286 0.003582 0.346905 O\n0.644714 0.003582 0.846905 O\n0.144714 0.996418 0.653095 O\n0.347041 0.939271 0.870680 O\n0.433612 0.685720 0.819981 O\n0.847041 0.060729 0.629320 O\n0.152959 0.939271 0.370680 O\n0.482624 0.201381 0.730857 O\n0.982624 0.798619 0.769143 O\n0.517376 0.798619 0.269143 O\n0.017376 0.201381 0.230857 O\n0.457480 0.170884 0.970941 O\n0.957480 0.829116 0.529059 O\n0.542520 0.829116 0.029059 O\n0.042520 0.170884 0.470941 O\n0.905337 0.538977 0.214251 O\n0.405337 0.461023 0.285749 O\n0.094663 0.461023 0.785749 O\n0.594663 0.538977 0.714251 O\n0.764040 0.262274 0.200323 O\n0.264040 0.737726 0.299677 O\n0.235960 0.737726 0.799677 O\n0.735960 0.262274 0.700323 O\n0.725432 0.361024 0.478646 O\n0.225432 0.638976 0.021354 O\n0.274568 0.638976 0.521354 O\n0.774568 0.361024 0.978646 O\n0.730870 0.740396 0.340126 O\n0.230870 0.259604 0.159874 O\n0.269130 0.259604 0.659874 O\n0.769130 0.740396 0.840126 O\n0.890177 0.438249 0.447271 O\n0.390177 0.561751 0.052729 O\n0.109823 0.561751 0.552729 O\n0.609823 0.438249 0.947271 O\n0.066388 0.685720 0.319981 O\n0.566388 0.314280 0.180019 O\n0.933612 0.314280 0.680019 O\n0.652959 0.060729 0.129320 O\n",
            "nsites": 88,
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            "elements": [
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                "Bi",
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            "chemical_system": "Bi-Co-Mg-O",
            "density": 6.679336258248732,
            "density_atomic": 0.07215699451410168,
            "volume": 1219.5629902905964,
            "volume_molar": 8.345886355927824,
            "formula_full": "Mg8 Co8 Bi16 O56",
            "formula_reduced": "MgCoBi2O7",
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            "energy": -539.69703703,
            "energy_per_atom": -6.1329208753409095,
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            "energy_uncorrected": -488.1210370300001,
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            "updated_at": "2021-11-28T01:34:48.874000Z",
            "spacegroup": 14
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        {
            "id": "mp-1176962",
            "created_at": "2022-09-04T14:40:22.834862Z",
            "structure_string": "Li6 Ti3 Fe1 P6 O24\n1.0\n8.550786 0.000000 0.000000\n3.970004 7.642208 0.000000\n3.984390 2.436564 7.236857\nLi Ti Fe P O\n6 3 1 6 24\ndirect\n0.980346 0.011083 0.004230 Li\n0.245451 0.654739 0.852381 Li\n0.522196 0.502019 0.491312 Li\n0.773841 0.340330 0.160541 Li\n0.338244 0.162295 0.775275 Li\n0.162734 0.774613 0.337864 Li\n0.854264 0.864143 0.855165 Ti\n0.646355 0.644927 0.638064 Ti\n0.352466 0.351308 0.350845 Ti\n0.148908 0.150640 0.150705 Fe\n0.945442 0.552595 0.246569 P\n0.552037 0.249759 0.943089 P\n0.249169 0.946125 0.548118 P\n0.746456 0.042790 0.458985 P\n0.456848 0.747021 0.039064 P\n0.044510 0.462261 0.747395 P\n0.878756 0.514235 0.687467 O\n0.677978 0.884910 0.506103 O\n0.949902 0.734425 0.079307 O\n0.485371 0.685968 0.882616 O\n0.758299 0.582608 0.404660 O\n0.959753 0.397195 0.194772 O\n0.740679 0.092604 0.929772 O\n0.565251 0.416971 0.761259 O\n0.404061 0.755085 0.580336 O\n0.806549 0.005675 0.619094 O\n0.903676 0.055914 0.270365 O\n0.626079 0.798218 0.996242 O\n0.395090 0.194951 0.962465 O\n0.094856 0.928252 0.741424 O\n0.192703 0.963106 0.395585 O\n0.589891 0.234046 0.436852 O\n0.438836 0.588239 0.229883 O\n0.271166 0.906024 0.058225 O\n0.024244 0.621552 0.799727 O\n0.233821 0.434248 0.587931 O\n0.510476 0.304696 0.110245 O\n0.053679 0.275568 0.906248 O\n0.306621 0.110527 0.507051 O\n0.112998 0.507338 0.303765 O\n",
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            "chemical_system": "Fe-Li-O-P-Ti",
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            "volume": 472.9060634104265,
            "volume_molar": 7.119767200287685,
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            "formula_reduced": "Li6Ti3Fe(PO4)6",
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            "structure_string": "Cu10 P6 O26\n1.0\n6.185892 0.000770 -0.027019\n-0.010700 8.086196 -0.333950\n0.001443 0.038608 9.955518\nCu P O\n10 6 26\ndirect\n0.500518 0.135754 0.777697 Cu\n0.749056 0.228512 0.461178 Cu\n0.250944 0.771488 0.538822 Cu\n0.499482 0.864246 0.222303 Cu\n0.996454 0.864390 0.220628 Cu\n0.254820 0.849789 0.921744 Cu\n0.753018 0.428607 0.887220 Cu\n0.246982 0.571393 0.112780 Cu\n0.003546 0.135610 0.779372 Cu\n0.745180 0.150211 0.078256 Cu\n0.249490 0.132282 0.504574 P\n0.750510 0.867718 0.495426 P\n0.748167 0.510744 0.229344 P\n0.249652 0.158947 0.112103 P\n0.750348 0.841053 0.887897 P\n0.251833 0.489256 0.770656 P\n0.250418 0.957645 0.429056 O\n0.749970 0.910763 0.339082 O\n0.954516 0.624531 0.218177 O\n0.542742 0.901759 0.812881 O\n0.747707 0.389768 0.102657 O\n0.041936 0.097126 0.184755 O\n0.945835 0.762612 0.530689 O\n0.958064 0.902874 0.815245 O\n0.252293 0.610232 0.897343 O\n0.252984 0.089018 0.963673 O\n0.751758 0.655424 0.887160 O\n0.457581 0.375454 0.782158 O\n0.251202 0.576375 0.639531 O\n0.247317 0.806019 0.119316 O\n0.542419 0.624546 0.217842 O\n0.444360 0.238718 0.470686 O\n0.749582 0.042355 0.570944 O\n0.457258 0.098241 0.187119 O\n0.250030 0.089237 0.660918 O\n0.748798 0.423625 0.360469 O\n0.555640 0.761282 0.529314 O\n0.054165 0.237388 0.469311 O\n0.747016 0.910982 0.036327 O\n0.752683 0.193981 0.880684 O\n0.045484 0.375469 0.781823 O\n0.248242 0.344576 0.112840 O\n",
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}