GET /third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=1744
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_magnetic&page=1745",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=1743",
    "results": [
        {
            "id": "mp-1199398",
            "created_at": "2022-09-04T14:47:43.412954Z",
            "structure_string": "Tb8 Ni60 B36\n1.0\n7.929335 5.782712 0.000000\n-7.929335 5.782712 0.000000\n0.000000 0.000000 11.251861\nTb Ni B\n8 60 36\ndirect\n0.259548 0.259548 0.958543 Tb\n0.740452 0.740452 0.041457 Tb\n0.240452 0.240452 0.458543 Tb\n0.759548 0.759548 0.541457 Tb\n0.192283 0.692283 0.750000 Tb\n0.307717 0.807717 0.250000 Tb\n0.807717 0.307717 0.250000 Tb\n0.692283 0.192283 0.750000 Tb\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.233749 0.233749 0.711702 Ni\n0.766251 0.766251 0.288298 Ni\n0.266251 0.266251 0.211702 Ni\n0.733749 0.733749 0.788298 Ni\n0.931410 0.431410 0.750000 Ni\n0.568590 0.068590 0.250000 Ni\n0.068590 0.568590 0.250000 Ni\n0.431410 0.931410 0.750000 Ni\n0.990302 0.183383 0.839563 Ni\n0.816617 0.009698 0.160437 Ni\n0.316617 0.509698 0.339563 Ni\n0.490302 0.683383 0.660437 Ni\n0.009698 0.816617 0.160437 Ni\n0.183383 0.990302 0.839563 Ni\n0.683383 0.490302 0.660437 Ni\n0.509698 0.316617 0.339563 Ni\n0.256914 0.471648 0.597481 Ni\n0.528352 0.743086 0.402519 Ni\n0.028352 0.243086 0.097481 Ni\n0.756914 0.971648 0.902519 Ni\n0.743086 0.528352 0.402519 Ni\n0.471648 0.256914 0.597481 Ni\n0.971648 0.756914 0.902519 Ni\n0.243086 0.028352 0.097481 Ni\n0.994487 0.226585 0.618392 Ni\n0.773415 0.005513 0.381608 Ni\n0.273415 0.505513 0.118392 Ni\n0.494487 0.726585 0.881608 Ni\n0.005513 0.773415 0.381608 Ni\n0.226585 0.994487 0.618392 Ni\n0.726585 0.494487 0.881608 Ni\n0.505513 0.273415 0.118392 Ni\n0.106258 0.446597 0.914887 Ni\n0.553403 0.893742 0.085113 Ni\n0.053403 0.393742 0.414887 Ni\n0.606258 0.946597 0.585113 Ni\n0.893742 0.553403 0.085113 Ni\n0.446597 0.106258 0.914887 Ni\n0.946597 0.606258 0.585113 Ni\n0.393742 0.053403 0.414887 Ni\n0.330810 0.488999 0.806142 Ni\n0.511001 0.669190 0.193858 Ni\n0.011001 0.169190 0.306142 Ni\n0.830810 0.988999 0.693858 Ni\n0.669190 0.511001 0.193858 Ni\n0.488999 0.330810 0.806142 Ni\n0.988999 0.830810 0.693858 Ni\n0.169190 0.011001 0.306142 Ni\n0.837982 0.363462 0.529592 Ni\n0.636538 0.162018 0.470408 Ni\n0.136538 0.662018 0.029592 Ni\n0.337982 0.863462 0.970408 Ni\n0.162018 0.636538 0.470408 Ni\n0.363462 0.837982 0.529592 Ni\n0.863462 0.337982 0.970408 Ni\n0.662018 0.136538 0.029592 Ni\n0.364689 0.635311 0.500000 B\n0.864689 0.135311 0.000000 B\n0.635311 0.364689 0.500000 B\n0.135311 0.864689 0.000000 B\n0.452599 0.452599 0.671734 B\n0.547401 0.547401 0.328266 B\n0.047401 0.047401 0.171734 B\n0.952599 0.952599 0.828266 B\n0.056334 0.056334 0.699853 B\n0.943666 0.943666 0.300147 B\n0.443666 0.443666 0.199853 B\n0.556334 0.556334 0.800147 B\n0.119690 0.377748 0.744433 B\n0.622252 0.880310 0.255567 B\n0.122252 0.380310 0.244433 B\n0.619690 0.877748 0.755567 B\n0.880310 0.622252 0.255567 B\n0.377748 0.119690 0.744433 B\n0.877748 0.619690 0.755567 B\n0.380310 0.122252 0.244433 B\n0.297895 0.591890 0.950014 B\n0.408110 0.702105 0.049986 B\n0.908110 0.202105 0.450014 B\n0.797895 0.091890 0.549986 B\n0.702105 0.408110 0.049986 B\n0.591890 0.297895 0.950014 B\n0.091890 0.797895 0.549986 B\n0.202105 0.908110 0.450014 B\n0.048877 0.449136 0.599786 B\n0.550864 0.951123 0.400214 B\n0.050864 0.451123 0.099786 B\n0.548877 0.949136 0.900214 B\n0.951123 0.550864 0.400214 B\n0.449136 0.048877 0.599786 B\n0.949136 0.548877 0.900214 B\n0.451123 0.050864 0.099786 B\n",
            "nsites": 104,
            "nelements": 3,
            "elements": [
                "Tb",
                "Ni",
                "B"
            ],
            "chemical_system": "B-Ni-Tb",
            "density": 8.339515460990363,
            "density_atomic": 0.10078842424573049,
            "volume": 1031.8645298634635,
            "volume_molar": 5.9750321577778855,
            "formula_full": "Tb8 Ni60 B36",
            "formula_reduced": "Tb2(Ni5B3)3",
            "formula_anonymous": "A2B9C15",
            "energy": -666.97264457,
            "energy_per_atom": -6.41319850548077,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -666.97264457,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003639,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:16.294000Z",
            "spacegroup": 64
        },
        {
            "id": "mp-1185147",
            "created_at": "2022-09-04T14:47:43.432124Z",
            "structure_string": "La3 Sm1\n1.0\n-2.626766 2.626766 5.284467\n2.626766 -2.626766 5.284467\n2.626766 2.626766 -5.284467\nLa Sm\n3 1\ndirect\n0.750000 0.250000 0.500000 La\n0.250000 0.750000 0.500000 La\n0.500000 0.500000 0.000000 La\n0.000000 0.000000 0.000000 Sm\n",
            "nsites": 4,
            "nelements": 2,
            "elements": [
                "La",
                "Sm"
            ],
            "chemical_system": "La-Sm",
            "density": 6.456344932456213,
            "density_atomic": 0.02742559366333045,
            "volume": 145.84916735451466,
            "volume_molar": 21.958105388442103,
            "formula_full": "La3 Sm1",
            "formula_reduced": "La3Sm",
            "formula_anonymous": "AB3",
            "energy": -19.42393144,
            "energy_per_atom": -4.85598286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -19.42393144,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.015998,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:16.741000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-1070544",
            "created_at": "2022-09-04T14:47:43.433618Z",
            "structure_string": "Cr1 Ga4\n1.0\n-2.836510 2.836510 2.836510\n2.836510 -2.836510 2.836510\n2.836510 2.836510 -2.836510\nCr Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.000000 0.000000 0.500000 Ga\n0.000000 0.500000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n",
            "nsites": 5,
            "nelements": 2,
            "elements": [
                "Cr",
                "Ga"
            ],
            "chemical_system": "Cr-Ga",
            "density": 6.018902353877146,
            "density_atomic": 0.054771805344872755,
            "volume": 91.28784359977382,
            "volume_molar": 10.99496487669406,
            "formula_full": "Cr1 Ga4",
            "formula_reduced": "CrGa4",
            "formula_anonymous": "AB4",
            "energy": -22.547070739999995,
            "energy_per_atom": -4.509414147999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -22.547070739999995,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.52e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:19.514000Z",
            "spacegroup": 229
        },
        {
            "id": "mp-570591",
            "created_at": "2022-09-04T14:47:43.435041Z",
            "structure_string": "Cs1 Hg1 Cl3\n1.0\n5.402792 0.000000 0.000000\n0.000000 5.402792 0.000000\n0.000000 0.000000 5.402792\nCs Hg Cl\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.500000 0.500000 Cl\n0.500000 0.500000 0.000000 Cl\n0.500000 0.000000 0.500000 Cl\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Cs",
                "Hg",
                "Cl"
            ],
            "chemical_system": "Cl-Cs-Hg",
            "density": 4.631304596224877,
            "density_atomic": 0.031704087647702495,
            "volume": 157.70837046504116,
            "volume_molar": 18.994840119414093,
            "formula_full": "Cs1 Hg1 Cl3",
            "formula_reduced": "CsHgCl3",
            "formula_anonymous": "ABC3",
            "energy": -14.36047994,
            "energy_per_atom": -2.872095988,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -12.51847994,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005323,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:19.262000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-760228",
            "created_at": "2022-09-04T14:47:43.450790Z",
            "structure_string": "Cr8 O8 F32\n1.0\n2.882411 9.557661 0.000000\n-2.882411 9.557661 0.000000\n0.000000 6.037758 13.859205\nCr O F\n8 8 32\ndirect\n0.467795 0.311452 0.177381 Cr\n0.053174 0.217950 0.607445 Cr\n0.688548 0.532205 0.322619 Cr\n0.217950 0.053174 0.107445 Cr\n0.782050 0.946826 0.892555 Cr\n0.311452 0.467795 0.677381 Cr\n0.946826 0.782050 0.392555 Cr\n0.532205 0.688548 0.822619 Cr\n0.255914 0.484846 0.117653 O\n0.275309 0.068183 0.526685 O\n0.515154 0.744086 0.382347 O\n0.068183 0.275309 0.026685 O\n0.931817 0.724691 0.973315 O\n0.484846 0.255914 0.617653 O\n0.724691 0.931817 0.473315 O\n0.744086 0.515154 0.882347 O\n0.708501 0.032738 0.130485 F\n0.913940 0.675138 0.345549 F\n0.422070 0.183545 0.277185 F\n0.818595 0.513747 0.546648 F\n0.662409 0.499346 0.742719 F\n0.168668 0.000486 0.712605 F\n0.379120 0.646833 0.889048 F\n0.816455 0.577930 0.222815 F\n0.324862 0.086060 0.154451 F\n0.967262 0.291499 0.369515 F\n0.814954 0.092279 0.895369 F\n0.907721 0.185046 0.604631 F\n0.353167 0.620880 0.610952 F\n0.513747 0.818595 0.046648 F\n0.999514 0.831332 0.787395 F\n0.500654 0.337591 0.757281 F\n0.499346 0.662409 0.242719 F\n0.000486 0.168668 0.212605 F\n0.486253 0.181405 0.953352 F\n0.646833 0.379120 0.389048 F\n0.092279 0.814954 0.395369 F\n0.185046 0.907721 0.104631 F\n0.032738 0.708501 0.630485 F\n0.675138 0.913940 0.845549 F\n0.183545 0.422070 0.777185 F\n0.620880 0.353167 0.110952 F\n0.831332 0.999514 0.287395 F\n0.337591 0.500654 0.257281 F\n0.181405 0.486253 0.453352 F\n0.577930 0.816455 0.722815 F\n0.086060 0.324862 0.654451 F\n0.291499 0.967262 0.869515 F\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Cr",
                "O",
                "F"
            ],
            "chemical_system": "Cr-F-O",
            "density": 2.504914443033849,
            "density_atomic": 0.06285869985409012,
            "volume": 763.6174485221509,
            "volume_molar": 9.580441170400931,
            "formula_full": "Cr8 O8 F32",
            "formula_reduced": "CrOF4",
            "formula_anonymous": "ABC4",
            "energy": -277.21373384000003,
            "energy_per_atom": -5.775286121666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -240.94173384,
            "band_gap": 1.9940999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011991,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:16.332000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-22628",
            "created_at": "2022-09-04T14:47:43.461825Z",
            "structure_string": "Cs2 N2 O6\n1.0\n5.210698 0.000000 0.000000\n0.000000 5.723669 0.000000\n0.000000 0.000000 6.252798\nCs N O\n2 2 6\ndirect\n0.595970 0.500000 0.000000 Cs\n0.404030 0.000000 0.500000 Cs\n0.003674 0.000000 0.000000 N\n0.996326 0.500000 0.500000 N\n0.118077 0.500000 0.676010 O\n0.881923 0.000000 0.823990 O\n0.751965 0.500000 0.500000 O\n0.248035 0.000000 0.000000 O\n0.118077 0.500000 0.323990 O\n0.881923 0.000000 0.176010 O\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Cs",
                "N",
                "O"
            ],
            "chemical_system": "Cs-N-O",
            "density": 3.471116469409635,
            "density_atomic": 0.05362350377133273,
            "volume": 186.48538973960197,
            "volume_molar": 11.230412666953427,
            "formula_full": "Cs2 N2 O6",
            "formula_reduced": "CsNO3",
            "formula_anonymous": "ABC3",
            "energy": -62.29185897,
            "energy_per_atom": -6.229185897,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -58.16985897000001,
            "band_gap": 3.0919,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0013938,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:16.973000Z",
            "spacegroup": 59
        },
        {
            "id": "mp-861986",
            "created_at": "2022-09-04T14:47:43.504576Z",
            "structure_string": "Pr10 Al4 Ru6\n1.0\n-4.973505 4.973505 4.973505\n4.973505 -4.973505 4.973505\n4.973505 4.973505 -4.973505\nPr Al Ru\n10 4 6\ndirect\n0.250000 0.684741 0.434741 Pr\n0.750000 0.815259 0.065259 Pr\n0.434741 0.250000 0.684741 Pr\n0.684741 0.434741 0.250000 Pr\n0.065259 0.750000 0.815259 Pr\n0.815259 0.065259 0.750000 Pr\n0.213870 0.213870 0.213870 Pr\n0.500000 0.000000 0.286130 Pr\n0.286130 0.500000 0.000000 Pr\n0.000000 0.286130 0.500000 Pr\n0.590985 0.590985 0.590985 Al\n0.500000 0.000000 0.909015 Al\n0.909015 0.500000 0.000000 Al\n0.000000 0.909015 0.500000 Al\n0.250000 0.117811 0.867811 Ru\n0.750000 0.382189 0.632189 Ru\n0.867810 0.250000 0.117811 Ru\n0.117811 0.867810 0.250000 Ru\n0.632189 0.750000 0.382189 Ru\n0.382189 0.632189 0.750000 Ru\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Pr",
                "Al",
                "Ru"
            ],
            "chemical_system": "Al-Pr-Ru",
            "density": 7.1653577058149365,
            "density_atomic": 0.0406426790499445,
            "volume": 492.09354470512716,
            "volume_molar": 14.817282966508142,
            "formula_full": "Pr10 Al4 Ru6",
            "formula_reduced": "Pr5Al2Ru3",
            "formula_anonymous": "A2B3C5",
            "energy": -125.80036662,
            "energy_per_atom": -6.290018331000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -125.80036662,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0591959,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:20.404000Z",
            "spacegroup": 199
        },
        {
            "id": "mp-1014339",
            "created_at": "2022-09-04T14:47:43.462303Z",
            "structure_string": "Cr12 N24\n1.0\n8.136984 0.000000 0.000000\n0.000000 8.136984 0.000000\n0.000000 0.000000 9.312346\nCr N\n12 24\ndirect\n0.823308 0.379609 0.997273 Cr\n0.176692 0.620391 0.497273 Cr\n0.879609 0.676692 0.247273 Cr\n0.120391 0.323308 0.747273 Cr\n0.620391 0.176692 0.502727 Cr\n0.379609 0.823308 0.002727 Cr\n0.676692 0.879609 0.752727 Cr\n0.323308 0.120391 0.252727 Cr\n0.910910 0.089090 0.250000 Cr\n0.089090 0.910910 0.750000 Cr\n0.589090 0.589090 0.500000 Cr\n0.410910 0.410910 0.000000 Cr\n0.947969 0.369467 0.843573 N\n0.052031 0.630533 0.343573 N\n0.869467 0.552031 0.093573 N\n0.130533 0.447969 0.593573 N\n0.630533 0.052031 0.656427 N\n0.369467 0.947969 0.156427 N\n0.552031 0.869467 0.906427 N\n0.447969 0.130533 0.406427 N\n0.615035 0.384996 0.956541 N\n0.384965 0.615004 0.456541 N\n0.884996 0.884965 0.206541 N\n0.115004 0.115035 0.706541 N\n0.615004 0.384965 0.543459 N\n0.384996 0.615035 0.043459 N\n0.884965 0.884996 0.793459 N\n0.115035 0.115004 0.293459 N\n0.861213 0.211714 0.104241 N\n0.138787 0.788286 0.604241 N\n0.711714 0.638787 0.354241 N\n0.288286 0.361213 0.854241 N\n0.788286 0.138787 0.395759 N\n0.211714 0.861213 0.895759 N\n0.638787 0.711714 0.645759 N\n0.361213 0.288286 0.145759 N\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Cr",
                "N"
            ],
            "chemical_system": "Cr-N",
            "density": 2.5857460626185773,
            "density_atomic": 0.058387041904096784,
            "volume": 616.575165070557,
            "volume_molar": 10.31417342548647,
            "formula_full": "Cr12 N24",
            "formula_reduced": "CrN2",
            "formula_anonymous": "AB2",
            "energy": -319.35176639,
            "energy_per_atom": -8.870882399722223,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -310.68776639,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.02e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:23.183000Z",
            "spacegroup": 96
        },
        {
            "id": "mp-16415",
            "created_at": "2022-09-04T14:47:43.467769Z",
            "structure_string": "La4 Pd4 O12\n1.0\n5.644336 0.000000 0.000000\n0.000000 6.035274 0.000000\n0.000000 0.000000 7.861312\nLa Pd O\n4 4 12\ndirect\n0.020430 0.929509 0.750000 La\n0.520430 0.570491 0.250000 La\n0.479570 0.429509 0.750000 La\n0.979570 0.070491 0.250000 La\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.694080 0.300895 0.447996 O\n0.194080 0.199105 0.552004 O\n0.805920 0.800895 0.052004 O\n0.305920 0.699105 0.947996 O\n0.305920 0.699105 0.552004 O\n0.805920 0.800895 0.447996 O\n0.194080 0.199105 0.947996 O\n0.694080 0.300895 0.052004 O\n0.110178 0.460253 0.250000 O\n0.610178 0.039747 0.750000 O\n0.389822 0.960253 0.250000 O\n0.889822 0.539747 0.750000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "La",
                "Pd",
                "O"
            ],
            "chemical_system": "La-O-Pd",
            "density": 7.275306853401088,
            "density_atomic": 0.0746835772894067,
            "volume": 267.79649189135523,
            "volume_molar": 8.0635408460197,
            "formula_full": "La4 Pd4 O12",
            "formula_reduced": "LaPdO3",
            "formula_anonymous": "ABC3",
            "energy": -147.08374434,
            "energy_per_atom": -7.354187217000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.83974434,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0034015,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:16.931000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1214126",
            "created_at": "2022-09-04T14:47:43.492474Z",
            "structure_string": "Ca10 V1 P5 O24 F2\n1.0\n6.978935 0.000000 0.000000\n0.000000 9.505465 0.000000\n0.000000 4.716930 8.265833\nCa V P O F\n10 1 5 24 2\ndirect\n0.500000 0.008913 0.488208 Ca\n0.749837 0.672608 0.905474 Ca\n0.250163 0.672608 0.905474 Ca\n0.748055 0.334490 0.581648 Ca\n0.251945 0.334490 0.581648 Ca\n0.500000 0.247820 0.996724 Ca\n0.000000 0.764642 0.497356 Ca\n0.000000 0.248368 0.238062 Ca\n0.000000 0.001666 0.997837 Ca\n0.500000 0.764044 0.246220 Ca\n0.000000 0.607664 0.274328 V\n0.500000 0.634030 0.645731 P\n0.500000 0.975259 0.877203 P\n0.000000 0.372947 0.845810 P\n0.000000 0.032330 0.609912 P\n0.500000 0.403181 0.214835 P\n0.500000 0.535423 0.835069 O\n0.000000 0.695713 0.064431 O\n0.500000 0.517874 0.574942 O\n0.500000 0.162030 0.762070 O\n0.679588 0.346806 0.159097 O\n0.320412 0.346806 0.159097 O\n0.820785 0.260637 0.901709 O\n0.179215 0.260637 0.901709 O\n0.000000 0.486951 0.918918 O\n0.678828 0.921130 0.989036 O\n0.321172 0.921130 0.989036 O\n0.500000 0.884444 0.778433 O\n0.000000 0.396410 0.378899 O\n0.500000 0.330545 0.401888 O\n0.000000 0.120645 0.711657 O\n0.678739 0.746085 0.591897 O\n0.321261 0.746085 0.591897 O\n0.500000 0.592685 0.124620 O\n0.000000 0.470934 0.656824 O\n0.820324 0.087125 0.498909 O\n0.179676 0.087125 0.498909 O\n0.000000 0.845369 0.720681 O\n0.805751 0.669433 0.341596 O\n0.194249 0.669433 0.341596 O\n0.500000 0.008227 0.244743 F\n0.000000 0.001811 0.243329 F\n",
            "nsites": 42,
            "nelements": 5,
            "elements": [
                "Ca",
                "V",
                "P",
                "O",
                "F"
            ],
            "chemical_system": "Ca-F-O-P-V",
            "density": 3.1148343144054556,
            "density_atomic": 0.07659495109083221,
            "volume": 548.3390145414827,
            "volume_molar": 7.862320785163084,
            "formula_full": "Ca10 V1 P5 O24 F2",
            "formula_reduced": "Ca10VP5(O12F)2",
            "formula_anonymous": "AB2C5D10E24",
            "energy": -320.22624575000003,
            "energy_per_atom": -7.624434422619048,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -301.11424575,
            "band_gap": 3.8289,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.2e-06,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:21.432000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-1179458",
            "created_at": "2022-09-04T14:47:43.521574Z",
            "structure_string": "Si20 H20 O30\n1.0\n4.663375 9.734836 0.000000\n-4.663375 9.734836 0.000000\n0.000000 8.558776 11.124581\nSi H O\n20 20 30\ndirect\n0.314837 0.680626 0.891709 Si\n0.319051 0.695282 0.612795 Si\n0.695282 0.319051 0.112795 Si\n0.680626 0.314837 0.391709 Si\n0.238933 0.126439 0.731229 Si\n0.903438 0.719206 0.770920 Si\n0.719206 0.903438 0.270920 Si\n0.126439 0.238933 0.231229 Si\n0.851912 0.363525 0.788030 Si\n0.604310 0.201301 0.703399 Si\n0.201301 0.604310 0.203399 Si\n0.363525 0.851912 0.288030 Si\n0.862513 0.356505 0.538892 Si\n0.653487 0.142929 0.954172 Si\n0.142929 0.653487 0.454172 Si\n0.356505 0.862513 0.038892 Si\n0.252102 0.129417 0.466743 Si\n0.868204 0.778269 0.013103 Si\n0.778269 0.868204 0.513103 Si\n0.129417 0.252102 0.966743 Si\n0.353370 0.869967 0.875206 H\n0.108606 0.719172 0.601624 H\n0.719172 0.108606 0.101624 H\n0.869967 0.353370 0.375206 H\n0.638751 0.912695 0.795602 H\n0.912695 0.638751 0.295602 H\n0.112740 0.641063 0.064248 H\n0.375865 0.875113 0.427935 H\n0.875113 0.375865 0.927935 H\n0.641063 0.112740 0.564248 H\n0.425361 0.558719 0.759011 H\n0.558719 0.425361 0.259011 H\n0.422409 0.112293 0.534984 H\n0.918316 0.571569 0.963373 H\n0.571569 0.918316 0.463373 H\n0.112293 0.422409 0.034984 H\n0.794161 0.571481 0.599712 H\n0.419227 0.218687 0.896569 H\n0.218687 0.419227 0.396569 H\n0.571481 0.794161 0.099712 H\n0.289851 0.885749 0.832465 O\n0.091786 0.762128 0.659074 O\n0.762128 0.091786 0.159074 O\n0.885749 0.289851 0.332465 O\n0.041955 0.198015 0.756315 O\n0.738325 0.927660 0.761494 O\n0.927660 0.738325 0.261494 O\n0.198015 0.041955 0.256315 O\n0.719777 0.284733 0.860928 O\n0.753357 0.248801 0.643776 O\n0.248801 0.753357 0.143776 O\n0.284733 0.719777 0.360928 O\n0.054065 0.193657 0.544770 O\n0.821457 0.967636 0.914952 O\n0.967636 0.821457 0.414952 O\n0.193657 0.054065 0.044770 O\n0.096395 0.703875 0.982819 O\n0.323359 0.894276 0.511490 O\n0.894276 0.323359 0.011490 O\n0.703875 0.096395 0.482819 O\n0.329010 0.671780 0.752719 O\n0.671780 0.329010 0.252719 O\n0.324412 0.092553 0.580874 O\n0.925120 0.676588 0.911602 O\n0.676588 0.925120 0.411602 O\n0.092553 0.324412 0.080874 O\n0.822069 0.452322 0.636451 O\n0.532366 0.210294 0.851755 O\n0.210294 0.532366 0.351755 O\n0.452322 0.822069 0.136451 O\n",
            "nsites": 70,
            "nelements": 3,
            "elements": [
                "Si",
                "H",
                "O"
            ],
            "chemical_system": "H-O-Si",
            "density": 1.745701391939621,
            "density_atomic": 0.0693035373479489,
            "volume": 1010.0494531549581,
            "volume_molar": 8.689514259228833,
            "formula_full": "Si20 H20 O30",
            "formula_reduced": "Si2H2O3",
            "formula_anonymous": "A2B2C3",
            "energy": -427.7052702,
            "energy_per_atom": -6.110075288571428,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -403.5152702,
            "band_gap": 2.0535000000000005,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0008548,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:18.707000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-640442",
            "created_at": "2022-09-04T14:47:43.481964Z",
            "structure_string": "Na34 In24 Ga58\n1.0\n0.000000 11.009253 11.009253\n11.009253 0.000000 11.009253\n11.009253 11.009253 0.000000\nNa In Ga\n34 24 58\ndirect\n0.496092 0.884324 0.123492 Na\n0.275116 0.908295 0.908295 Na\n0.496092 0.123492 0.884324 Na\n0.123492 0.884324 0.496092 Na\n0.126508 0.753908 0.753908 Na\n0.365676 0.753908 0.126508 Na\n0.123492 0.496092 0.884324 Na\n0.250000 0.250000 0.250000 Na\n0.974884 0.341705 0.341705 Na\n0.341705 0.974884 0.341705 Na\n0.341705 0.341705 0.974884 Na\n0.753908 0.126508 0.753908 Na\n0.365676 0.753908 0.753908 Na\n0.884324 0.496092 0.496092 Na\n0.496092 0.496092 0.123492 Na\n0.496092 0.884324 0.496092 Na\n0.753908 0.365676 0.126508 Na\n0.126508 0.365676 0.753908 Na\n0.908295 0.275116 0.908295 Na\n0.753908 0.753908 0.126508 Na\n0.753908 0.365676 0.753908 Na\n0.496092 0.123492 0.496092 Na\n0.753908 0.126508 0.365676 Na\n0.000000 0.000000 0.000000 Na\n0.123492 0.496092 0.496092 Na\n0.908295 0.908295 0.908295 Na\n0.884324 0.123492 0.496092 Na\n0.126508 0.753908 0.365676 Na\n0.496092 0.496092 0.884324 Na\n0.341705 0.341705 0.341705 Na\n0.753908 0.753908 0.365676 Na\n0.908295 0.908295 0.275116 Na\n0.884324 0.496092 0.123492 Na\n0.365676 0.126508 0.753908 Na\n0.742674 0.353291 0.353291 In\n0.896709 0.896709 0.507326 In\n0.507326 0.699255 0.896709 In\n0.353291 0.550745 0.742674 In\n0.353291 0.550745 0.353291 In\n0.353291 0.353291 0.742674 In\n0.353291 0.742674 0.550745 In\n0.742674 0.550745 0.353291 In\n0.507326 0.896709 0.896709 In\n0.896709 0.507326 0.699255 In\n0.699255 0.896709 0.896709 In\n0.550745 0.353291 0.353291 In\n0.550745 0.353291 0.742674 In\n0.742674 0.353291 0.550745 In\n0.550745 0.742674 0.353291 In\n0.896709 0.507326 0.896709 In\n0.896709 0.699255 0.896709 In\n0.896709 0.699255 0.507326 In\n0.507326 0.896709 0.699255 In\n0.353291 0.742674 0.353291 In\n0.353291 0.353291 0.550745 In\n0.699255 0.896709 0.507326 In\n0.699255 0.507326 0.896709 In\n0.896709 0.896709 0.699255 In\n0.234873 0.942698 0.234873 Ga\n0.131173 0.783668 0.953986 Ga\n0.585178 0.244465 0.585178 Ga\n0.015127 0.662444 0.307302 Ga\n0.131173 0.131173 0.953986 Ga\n0.234873 0.942698 0.587556 Ga\n0.015127 0.015127 0.662444 Ga\n0.005535 0.664822 0.664822 Ga\n0.783668 0.953986 0.131173 Ga\n0.131173 0.783668 0.131173 Ga\n0.942698 0.587556 0.234873 Ga\n0.118827 0.118827 0.466332 Ga\n0.783668 0.131173 0.953986 Ga\n0.585178 0.585178 0.585178 Ga\n0.296014 0.118827 0.118827 Ga\n0.131173 0.953986 0.131173 Ga\n0.587556 0.234873 0.942698 Ga\n0.662444 0.015127 0.307302 Ga\n0.664822 0.664822 0.005535 Ga\n0.296014 0.466332 0.118827 Ga\n0.118827 0.466332 0.118827 Ga\n0.118827 0.466332 0.296014 Ga\n0.131173 0.131173 0.783668 Ga\n0.307302 0.015127 0.015127 Ga\n0.466332 0.118827 0.296014 Ga\n0.750000 0.750000 0.750000 Ga\n0.234873 0.234873 0.587556 Ga\n0.244465 0.585178 0.585178 Ga\n0.015127 0.307302 0.662444 Ga\n0.664822 0.664822 0.664822 Ga\n0.587556 0.234873 0.234873 Ga\n0.131173 0.953986 0.783668 Ga\n0.953986 0.131173 0.131173 Ga\n0.783668 0.131173 0.131173 Ga\n0.664822 0.005535 0.664822 Ga\n0.015127 0.662444 0.015127 Ga\n0.118827 0.118827 0.296014 Ga\n0.585178 0.585178 0.244465 Ga\n0.662444 0.307302 0.015127 Ga\n0.015127 0.015127 0.307302 Ga\n0.466332 0.118827 0.118827 Ga\n0.587556 0.942698 0.234873 Ga\n0.942698 0.234873 0.234873 Ga\n0.662444 0.015127 0.015127 Ga\n0.234873 0.587556 0.234873 Ga\n0.307302 0.662444 0.015127 Ga\n0.466332 0.296014 0.118827 Ga\n0.118827 0.296014 0.118827 Ga\n0.953986 0.783668 0.131173 Ga\n0.234873 0.587556 0.942698 Ga\n0.942698 0.234873 0.587556 Ga\n0.118827 0.296014 0.466332 Ga\n0.500000 0.500000 0.500000 Ga\n0.296014 0.118827 0.466332 Ga\n0.953986 0.131173 0.783668 Ga\n0.307302 0.015127 0.662444 Ga\n0.234873 0.234873 0.942698 Ga\n0.015127 0.307302 0.015127 Ga\n",
            "nsites": 116,
            "nelements": 3,
            "elements": [
                "Na",
                "In",
                "Ga"
            ],
            "chemical_system": "Ga-In-Na",
            "density": 4.717202707520245,
            "density_atomic": 0.043466476528230165,
            "volume": 2668.7233303730404,
            "volume_molar": 13.854678918105545,
            "formula_full": "Na34 In24 Ga58",
            "formula_reduced": "Na17In12Ga29",
            "formula_anonymous": "A12B17C29",
            "energy": -302.15327838,
            "energy_per_atom": -2.6047696412068966,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -302.15327838,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.5233692,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:20.563000Z",
            "spacegroup": 227
        }
    ]
}