GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=38
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=39",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=37",
    "results": [
        {
            "id": "mp-1217533",
            "created_at": "2022-09-04T14:46:23.760718Z",
            "structure_string": "Tb4 U4 Te12\n1.0\n4.275608 0.000000 0.000000\n0.000000 11.914811 0.000000\n0.000000 0.000000 12.111346\nTb U Te\n4 4 12\ndirect\n0.250000 0.187639 0.485494 Tb\n0.250000 0.312361 0.985494 Tb\n0.750000 0.812361 0.514506 Tb\n0.750000 0.687639 0.014506 Tb\n0.750000 0.498715 0.694791 U\n0.750000 0.001285 0.194791 U\n0.250000 0.501285 0.305209 U\n0.250000 0.998715 0.805209 U\n0.250000 0.624935 0.543695 Te\n0.250000 0.875065 0.043695 Te\n0.750000 0.375065 0.456305 Te\n0.750000 0.124935 0.956305 Te\n0.250000 0.298437 0.726630 Te\n0.250000 0.201563 0.226630 Te\n0.750000 0.701563 0.273370 Te\n0.750000 0.798437 0.773370 Te\n0.750000 0.052342 0.618552 Te\n0.750000 0.447658 0.118552 Te\n0.250000 0.947658 0.381448 Te\n0.250000 0.552342 0.881448 Te\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Tb",
                "U",
                "Te"
            ],
            "chemical_system": "Tb-Te-U",
            "density": 8.394394877936458,
            "density_atomic": 0.0324154866223021,
            "volume": 616.9890408567813,
            "volume_molar": 18.57797425708464,
            "formula_full": "Tb4 U4 Te12",
            "formula_reduced": "TbUTe3",
            "formula_anonymous": "ABC3",
            "energy": -126.81251442,
            "energy_per_atom": -6.340625721,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -121.74851442000002,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 11.7061754,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.541000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1042447",
            "created_at": "2022-09-04T14:46:23.779494Z",
            "structure_string": "Ti8 Zn8 Bi8 O40\n1.0\n5.187744 0.000000 0.000000\n0.000000 10.786347 0.000000\n0.000000 0.000000 15.666624\nTi Zn Bi O\n8 8 8 40\ndirect\n0.892359 0.347364 0.390321 Ti\n0.607641 0.847364 0.609679 Ti\n0.107641 0.652636 0.609679 Ti\n0.392359 0.152636 0.390321 Ti\n0.107641 0.152636 0.890321 Ti\n0.892359 0.847364 0.109679 Ti\n0.607641 0.347364 0.890321 Ti\n0.392359 0.652636 0.109679 Ti\n0.464257 0.366798 0.525270 Zn\n0.964257 0.133202 0.525270 Zn\n0.964257 0.633202 0.974730 Zn\n0.035743 0.366798 0.025270 Zn\n0.535743 0.133202 0.025270 Zn\n0.035743 0.866798 0.474730 Zn\n0.535743 0.633202 0.474730 Zn\n0.464257 0.866798 0.974730 Zn\n0.176157 0.860132 0.782992 Bi\n0.823843 0.139868 0.217008 Bi\n0.323843 0.360132 0.217008 Bi\n0.823843 0.639868 0.282992 Bi\n0.676157 0.139868 0.717008 Bi\n0.676157 0.639868 0.782992 Bi\n0.323843 0.860132 0.282992 Bi\n0.176157 0.360132 0.717008 Bi\n0.629806 0.285480 0.304541 O\n0.297116 0.036958 0.944628 O\n0.202884 0.536958 0.055372 O\n0.509793 0.803013 0.858267 O\n0.990207 0.303013 0.141733 O\n0.629806 0.785480 0.195459 O\n0.990207 0.803013 0.358267 O\n0.870194 0.785480 0.695459 O\n0.297116 0.536958 0.555372 O\n0.370194 0.714520 0.695459 O\n0.870194 0.285480 0.804541 O\n0.678091 0.207333 0.457094 O\n0.797116 0.963042 0.555372 O\n0.490207 0.696987 0.358267 O\n0.056672 0.963174 0.188343 O\n0.797116 0.463042 0.944628 O\n0.370194 0.214520 0.804541 O\n0.009793 0.196987 0.641733 O\n0.178091 0.792667 0.042906 O\n0.202884 0.036958 0.444628 O\n0.321909 0.792667 0.542906 O\n0.943328 0.036826 0.811657 O\n0.490207 0.196987 0.141733 O\n0.556672 0.036826 0.311657 O\n0.321909 0.292667 0.957094 O\n0.178091 0.292667 0.457094 O\n0.702884 0.463042 0.444628 O\n0.702884 0.963042 0.055372 O\n0.556672 0.536826 0.188343 O\n0.821909 0.707333 0.542906 O\n0.821909 0.207333 0.957094 O\n0.678091 0.707333 0.042906 O\n0.943328 0.536826 0.688343 O\n0.009793 0.696987 0.858267 O\n0.509793 0.303013 0.641733 O\n0.056672 0.463174 0.311657 O\n0.443328 0.463174 0.811657 O\n0.129806 0.214520 0.304541 O\n0.443328 0.963174 0.688343 O\n0.129806 0.714520 0.195459 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Ti",
                "Zn",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-O-Ti-Zn",
            "density": 6.095515827329808,
            "density_atomic": 0.07300483591621297,
            "volume": 876.6542544312031,
            "volume_molar": 8.248961434433685,
            "formula_full": "Ti8 Zn8 Bi8 O40",
            "formula_reduced": "TiZnBiO5",
            "formula_anonymous": "ABCD5",
            "energy": -445.18493326,
            "energy_per_atom": -6.9560145821875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -417.70493326,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015439,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.165000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1113978",
            "created_at": "2022-09-04T14:46:23.827107Z",
            "structure_string": "Rb2 Li1 Eu1 Cl6\n1.0\n0.000000 5.284195 5.284195\n5.284195 0.000000 5.284195\n5.284195 5.284195 0.000000\nRb Li Eu Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Eu\n0.743679 0.256321 0.256321 Cl\n0.256321 0.256321 0.743679 Cl\n0.256321 0.743679 0.743679 Cl\n0.256321 0.743679 0.256321 Cl\n0.743679 0.256321 0.743679 Cl\n0.743679 0.743679 0.256321 Cl\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Rb",
                "Li",
                "Eu",
                "Cl"
            ],
            "chemical_system": "Cl-Eu-Li-Rb",
            "density": 3.05301716630341,
            "density_atomic": 0.03388702920666849,
            "volume": 295.0981609810795,
            "volume_molar": 17.771226634452006,
            "formula_full": "Rb2 Li1 Eu1 Cl6",
            "formula_reduced": "Rb2LiEuCl6",
            "formula_anonymous": "ABC2D6",
            "energy": -47.99299486,
            "energy_per_atom": -4.799299486000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -44.30899486,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.465000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-774760",
            "created_at": "2022-09-04T14:46:23.839903Z",
            "structure_string": "Li8 Ti12 Cr4 O32\n1.0\n8.442148 0.000000 0.000000\n0.000000 8.442148 0.000000\n0.000000 0.000000 8.442148\nLi Ti Cr O\n8 12 4 32\ndirect\n0.002615 0.002615 0.002615 Li\n0.247385 0.247385 0.247385 Li\n0.252615 0.752615 0.747385 Li\n0.497385 0.997385 0.502615 Li\n0.502615 0.497385 0.997385 Li\n0.747385 0.252615 0.752615 Li\n0.752615 0.747385 0.252615 Li\n0.997385 0.502615 0.497385 Li\n0.125057 0.124943 0.625000 Ti\n0.125000 0.374943 0.875057 Ti\n0.124943 0.625000 0.125057 Ti\n0.375057 0.375000 0.625057 Ti\n0.375000 0.625057 0.375057 Ti\n0.374943 0.875057 0.125000 Ti\n0.625057 0.375057 0.375000 Ti\n0.625000 0.125057 0.124943 Ti\n0.624943 0.875000 0.874943 Ti\n0.875057 0.125000 0.374943 Ti\n0.875000 0.874943 0.624943 Ti\n0.874943 0.624943 0.875000 Ti\n0.125000 0.875000 0.375000 Cr\n0.375000 0.125000 0.875000 Cr\n0.625000 0.625000 0.625000 Cr\n0.875000 0.375000 0.125000 Cr\n0.111188 0.114155 0.388195 O\n0.111805 0.888812 0.614155 O\n0.112951 0.612951 0.887049 O\n0.135845 0.138812 0.861805 O\n0.114155 0.388195 0.111188 O\n0.137049 0.362951 0.637049 O\n0.138195 0.635845 0.361188 O\n0.138812 0.861805 0.135845 O\n0.361188 0.138195 0.635845 O\n0.361805 0.364155 0.861188 O\n0.362951 0.637049 0.137049 O\n0.385845 0.611805 0.611188 O\n0.364155 0.861188 0.361805 O\n0.387049 0.387049 0.387049 O\n0.388195 0.111188 0.114155 O\n0.388812 0.885845 0.888195 O\n0.611188 0.385845 0.611805 O\n0.611805 0.611188 0.385845 O\n0.612951 0.887049 0.112951 O\n0.635845 0.361188 0.138195 O\n0.614155 0.111805 0.888812 O\n0.637049 0.137049 0.362951 O\n0.638195 0.864155 0.638812 O\n0.638812 0.638195 0.864155 O\n0.861188 0.361805 0.364155 O\n0.861805 0.135845 0.138812 O\n0.862951 0.862951 0.862951 O\n0.885845 0.888195 0.388812 O\n0.864155 0.638812 0.638195 O\n0.887049 0.112951 0.612951 O\n0.888195 0.388812 0.885845 O\n0.888812 0.614155 0.111805 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "Ti",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-Li-O-Ti",
            "density": 3.7255544007040666,
            "density_atomic": 0.09307416364731459,
            "volume": 601.6707301523599,
            "volume_molar": 6.4702604074098,
            "formula_full": "Li8 Ti12 Cr4 O32",
            "formula_reduced": "Li2Ti3CrO8",
            "formula_anonymous": "AB2C3D8",
            "energy": -478.79755288,
            "energy_per_atom": -8.54995630142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -448.81755288,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.985229,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:33.919000Z",
            "spacegroup": 212
        },
        {
            "id": "mp-642428",
            "created_at": "2022-09-04T14:46:23.699909Z",
            "structure_string": "Y6 Al38 Ni10\n1.0\n2.054644 -8.031499 0.000000\n2.054644 8.031499 0.000000\n0.000000 0.000000 27.263289\nY Al Ni\n6 38 10\ndirect\n0.112349 0.887651 0.250000 Y\n0.333603 0.666397 0.135159 Y\n0.887651 0.112349 0.750000 Y\n0.666397 0.333603 0.864841 Y\n0.333603 0.666397 0.364841 Y\n0.666397 0.333603 0.635159 Y\n0.906381 0.093619 0.963408 Al\n0.566653 0.433347 0.531091 Al\n0.433347 0.566653 0.468909 Al\n0.265496 0.734504 0.471009 Al\n0.036154 0.963846 0.898841 Al\n0.920295 0.079705 0.201743 Al\n0.093619 0.906381 0.036592 Al\n0.276494 0.723506 0.693313 Al\n0.464453 0.535547 0.674075 Al\n0.306001 0.693999 0.250000 Al\n0.276494 0.723506 0.806687 Al\n0.290673 0.709327 0.588165 Al\n0.129313 0.870687 0.364538 Al\n0.723506 0.276494 0.193313 Al\n0.963846 0.036154 0.398841 Al\n0.535547 0.464453 0.174075 Al\n0.709327 0.290673 0.088165 Al\n0.079705 0.920295 0.798257 Al\n0.265496 0.734504 0.028991 Al\n0.290673 0.709327 0.911835 Al\n0.734504 0.265496 0.971009 Al\n0.870687 0.129313 0.635462 Al\n0.734504 0.265496 0.528991 Al\n0.709327 0.290673 0.411835 Al\n0.535547 0.464453 0.325925 Al\n0.906381 0.093619 0.536592 Al\n0.723506 0.276494 0.306687 Al\n0.129313 0.870687 0.135462 Al\n0.693999 0.306001 0.750000 Al\n0.079705 0.920295 0.701743 Al\n0.920295 0.079705 0.298257 Al\n0.963846 0.036154 0.101159 Al\n0.870687 0.129313 0.864538 Al\n0.093619 0.906381 0.463408 Al\n0.464453 0.535547 0.825925 Al\n0.433347 0.566653 0.031091 Al\n0.036154 0.963846 0.601159 Al\n0.566653 0.433347 0.968909 Al\n0.158451 0.841549 0.958077 Ni\n0.445878 0.554122 0.915453 Ni\n0.841549 0.158451 0.041923 Ni\n0.545280 0.454720 0.750000 Ni\n0.445878 0.554122 0.584547 Ni\n0.554122 0.445878 0.415453 Ni\n0.554122 0.445878 0.084547 Ni\n0.454720 0.545280 0.250000 Ni\n0.841549 0.158451 0.458077 Ni\n0.158451 0.841549 0.541923 Ni\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Y",
                "Al",
                "Ni"
            ],
            "chemical_system": "Al-Ni-Y",
            "density": 3.959771242314134,
            "density_atomic": 0.06001396532691693,
            "volume": 899.7905688424892,
            "volume_molar": 10.034565666833222,
            "formula_full": "Y6 Al38 Ni10",
            "formula_reduced": "Y3Al19Ni5",
            "formula_anonymous": "A3B5C19",
            "energy": -266.19390205,
            "energy_per_atom": -4.92951670462963,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -266.19390205,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.026074,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:34.268000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-756908",
            "created_at": "2022-09-04T14:46:23.095824Z",
            "structure_string": "Li12 Sb4 O12\n1.0\n7.163384 0.000000 0.000000\n0.000000 7.163384 0.000000\n0.000000 0.000000 7.163384\nLi Sb O\n12 4 12\ndirect\n0.968922 0.968922 0.968922 Li\n0.260931 0.239069 0.760931 Li\n0.240521 0.740521 0.759479 Li\n0.259479 0.259479 0.259479 Li\n0.239069 0.760931 0.260931 Li\n0.531078 0.031078 0.468922 Li\n0.468922 0.531078 0.031078 Li\n0.760931 0.260931 0.239069 Li\n0.740521 0.759479 0.240521 Li\n0.759479 0.240521 0.740521 Li\n0.739069 0.739069 0.739069 Li\n0.031078 0.468922 0.531078 Li\n0.023147 0.976853 0.476853 Sb\n0.476853 0.023147 0.976853 Sb\n0.523147 0.523147 0.523147 Sb\n0.976853 0.476853 0.023147 Sb\n0.994357 0.241011 0.401311 O\n0.098689 0.005643 0.741011 O\n0.241011 0.401311 0.994357 O\n0.258989 0.598689 0.494357 O\n0.401311 0.994357 0.241011 O\n0.505643 0.758989 0.901311 O\n0.494357 0.258989 0.598689 O\n0.598689 0.494357 0.258989 O\n0.741011 0.098689 0.005643 O\n0.758989 0.901311 0.505643 O\n0.901311 0.505643 0.758989 O\n0.005643 0.741011 0.098689 O\n",
            "nsites": 28,
            "nelements": 3,
            "elements": [
                "Li",
                "Sb",
                "O"
            ],
            "chemical_system": "Li-O-Sb",
            "density": 3.4437724573925084,
            "density_atomic": 0.076173398759673,
            "volume": 367.58239038722655,
            "volume_molar": 7.905831770746961,
            "formula_full": "Li12 Sb4 O12",
            "formula_reduced": "Li3SbO3",
            "formula_anonymous": "AB3C3",
            "energy": -154.1546563,
            "energy_per_atom": -5.505523439285715,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -145.9106563,
            "band_gap": 3.2818,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:34.355000Z",
            "spacegroup": 198
        },
        {
            "id": "mp-1207384",
            "created_at": "2022-09-04T14:46:23.144098Z",
            "structure_string": "Zr4 Ge4 As4\n1.0\n3.640719 0.000000 0.000000\n0.000000 6.738940 0.000000\n0.000000 0.000000 9.439070\nZr Ge As\n4 4 4\ndirect\n0.250000 0.725499 0.837577 Zr\n0.750000 0.274501 0.162423 Zr\n0.750000 0.774501 0.337577 Zr\n0.250000 0.225499 0.662423 Zr\n0.250000 0.622788 0.544167 Ge\n0.750000 0.377212 0.455833 Ge\n0.750000 0.877212 0.044167 Ge\n0.250000 0.122788 0.955833 Ge\n0.250000 0.602513 0.145612 As\n0.750000 0.397487 0.854388 As\n0.750000 0.897487 0.645612 As\n0.250000 0.102513 0.354388 As\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Zr",
                "Ge",
                "As"
            ],
            "chemical_system": "As-Ge-Zr",
            "density": 6.848717698037863,
            "density_atomic": 0.051817122159803865,
            "volume": 231.58368314998336,
            "volume_molar": 11.621912813737,
            "formula_full": "Zr4 Ge4 As4",
            "formula_reduced": "ZrGeAs",
            "formula_anonymous": "ABC",
            "energy": -79.59093866,
            "energy_per_atom": -6.632578221666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -79.59093866,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.39e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:29.786000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-975599",
            "created_at": "2022-09-04T14:46:22.502541Z",
            "structure_string": "Pr6 Er2\n1.0\n3.696165 -6.401945 0.000000\n3.696165 6.401945 0.000000\n0.000000 0.000000 5.943819\nPr Er\n6 2\ndirect\n0.167710 0.335419 0.250000 Pr\n0.664581 0.832290 0.250000 Pr\n0.167710 0.832290 0.250000 Pr\n0.832290 0.664581 0.750000 Pr\n0.335419 0.167710 0.750000 Pr\n0.832290 0.167710 0.750000 Pr\n0.333333 0.666667 0.750000 Er\n0.666667 0.333333 0.250000 Er\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Pr",
                "Er"
            ],
            "chemical_system": "Er-Pr",
            "density": 6.96560683384511,
            "density_atomic": 0.028440100478822762,
            "volume": 281.29295836901167,
            "volume_molar": 21.174822376187606,
            "formula_full": "Pr6 Er2",
            "formula_reduced": "Pr3Er",
            "formula_anonymous": "AB3",
            "energy": -37.60063204,
            "energy_per_atom": -4.700079005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -37.60063204,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0100316,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:29.519000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-757097",
            "created_at": "2022-09-04T14:46:23.098692Z",
            "structure_string": "Li8 Fe8 P8 O32\n1.0\n5.135999 0.000000 0.000000\n0.000000 10.223016 0.000000\n0.000000 0.000000 13.671668\nLi Fe P O\n8 8 8 32\ndirect\n0.054352 0.033141 0.247598 Li\n0.550080 0.214411 0.997935 Li\n0.550080 0.285589 0.497935 Li\n0.054352 0.466859 0.747598 Li\n0.945648 0.533141 0.247598 Li\n0.449920 0.714411 0.997935 Li\n0.449920 0.785589 0.497935 Li\n0.945648 0.966859 0.747598 Li\n0.933481 0.031003 0.498973 Fe\n0.548051 0.219677 0.250038 Fe\n0.548051 0.280323 0.750038 Fe\n0.933481 0.468997 0.998973 Fe\n0.066519 0.531003 0.498973 Fe\n0.451949 0.719677 0.250038 Fe\n0.451949 0.780323 0.750038 Fe\n0.066519 0.968997 0.998973 Fe\n0.442267 0.031425 0.623857 P\n0.051080 0.217592 0.872262 P\n0.051080 0.282408 0.372262 P\n0.442267 0.468575 0.123857 P\n0.557733 0.531425 0.623857 P\n0.948920 0.717592 0.872262 P\n0.948920 0.782408 0.372262 P\n0.557733 0.968575 0.123857 P\n0.856522 0.994831 0.123777 O\n0.559880 0.969431 0.530022 O\n0.436270 0.030580 0.217121 O\n0.002791 0.067485 0.871344 O\n0.501791 0.180512 0.623223 O\n0.915754 0.225731 0.464661 O\n0.939575 0.280733 0.777692 O\n0.347602 0.249118 0.875896 O\n0.347602 0.250882 0.375896 O\n0.939575 0.219267 0.277692 O\n0.915754 0.274269 0.964661 O\n0.501791 0.319488 0.123223 O\n0.002791 0.432515 0.371344 O\n0.436270 0.469420 0.717121 O\n0.559880 0.530569 0.030022 O\n0.856522 0.505169 0.623777 O\n0.143478 0.494831 0.123777 O\n0.440120 0.469431 0.530022 O\n0.563730 0.530580 0.217121 O\n0.997209 0.567485 0.871344 O\n0.498209 0.680512 0.623223 O\n0.084246 0.725731 0.464661 O\n0.060425 0.780733 0.777692 O\n0.652398 0.749118 0.875896 O\n0.652398 0.750882 0.375896 O\n0.060425 0.719267 0.277692 O\n0.084246 0.774269 0.964661 O\n0.498209 0.819488 0.123223 O\n0.997209 0.932515 0.371344 O\n0.563730 0.969420 0.717121 O\n0.440120 0.030569 0.030022 O\n0.143478 0.005169 0.623777 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Li",
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-Li-O-P",
            "density": 2.9194648136706842,
            "density_atomic": 0.0780122048472607,
            "volume": 717.8363963644128,
            "volume_molar": 7.719485395638655,
            "formula_full": "Li8 Fe8 P8 O32",
            "formula_reduced": "LiFePO4",
            "formula_anonymous": "ABCD4",
            "energy": -422.91096388,
            "energy_per_atom": -7.551981497857143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -382.87896388,
            "band_gap": 3.523,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 32.0000001,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:30.746000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-1226803",
            "created_at": "2022-09-04T14:46:23.916960Z",
            "structure_string": "Ce1 Ti1 Fe11\n1.0\n0.000000 0.000000 4.673186\n-4.319329 4.262179 2.336594\n-4.319329 -4.262179 -2.336594\nCe Ti Fe\n1 1 11\ndirect\n0.006805 0.993195 0.006805 Ce\n0.629510 0.370490 0.629510 Ti\n0.732895 0.767105 0.232895 Fe\n0.272262 0.227738 0.772262 Fe\n0.499232 0.777928 0.776392 Fe\n0.499232 0.223608 0.222072 Fe\n0.500944 0.999191 0.500216 Fe\n0.000081 0.999191 0.500216 Fe\n0.500944 0.499784 0.000809 Fe\n0.000081 0.499784 0.000809 Fe\n0.354910 0.645090 0.354910 Fe\n0.001552 0.356247 0.359352 Fe\n0.001552 0.640648 0.643753 Fe\n",
            "nsites": 13,
            "nelements": 3,
            "elements": [
                "Ce",
                "Ti",
                "Fe"
            ],
            "chemical_system": "Ce-Fe-Ti",
            "density": 7.742530910737102,
            "density_atomic": 0.07555310540609349,
            "volume": 172.0644033110984,
            "volume_molar": 7.970738896344958,
            "formula_full": "Ce1 Ti1 Fe11",
            "formula_reduced": "CeTiFe11",
            "formula_anonymous": "ABC11",
            "energy": -107.75454627,
            "energy_per_atom": -8.288811251538462,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -107.75454627,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.6326612,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:33.253000Z",
            "spacegroup": 44
        },
        {
            "id": "mp-1226710",
            "created_at": "2022-09-04T14:46:23.114143Z",
            "structure_string": "Ce1 Y4 Zn5\n1.0\n3.603495 0.000000 0.000000\n0.000000 3.603495 0.000000\n0.000000 0.000000 18.086523\nCe Y Zn\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.199961 Y\n0.000000 0.000000 0.400348 Y\n0.000000 0.000000 0.599652 Y\n0.000000 0.000000 0.800039 Y\n0.500000 0.500000 0.101623 Zn\n0.500000 0.500000 0.300236 Zn\n0.500000 0.500000 0.500000 Zn\n0.500000 0.500000 0.699764 Zn\n0.500000 0.500000 0.898377 Zn\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ce",
                "Y",
                "Zn"
            ],
            "chemical_system": "Ce-Y-Zn",
            "density": 5.817444032107355,
            "density_atomic": 0.04257915784120272,
            "volume": 234.85668827210262,
            "volume_molar": 14.14340035202043,
            "formula_full": "Ce1 Y4 Zn5",
            "formula_reduced": "CeY4Zn5",
            "formula_anonymous": "AB4C5",
            "energy": -41.3434818,
            "energy_per_atom": -4.13434818,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -41.3434818,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.294789,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:34.944000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-770658",
            "created_at": "2022-09-04T14:46:24.394424Z",
            "structure_string": "Li2 Ni1 Sn3 P6 O24\n1.0\n7.720175 -4.388747 0.000000\n7.720175 4.388747 0.000000\n5.225271 0.000000 7.180442\nLi Ni Sn P O\n2 1 3 6 24\ndirect\n0.017559 0.017559 0.017559 Li\n0.499030 0.499030 0.499030 Li\n0.146116 0.146116 0.146116 Ni\n0.855941 0.855941 0.855941 Sn\n0.643696 0.643696 0.643696 Sn\n0.354406 0.354406 0.354406 Sn\n0.248751 0.538781 0.956748 P\n0.956748 0.248751 0.538781 P\n0.538781 0.956748 0.248751 P\n0.450742 0.045388 0.753762 P\n0.045388 0.753762 0.450742 P\n0.753762 0.450742 0.045388 P\n0.700645 0.484992 0.886891 O\n0.484992 0.886891 0.700645 O\n0.085166 0.728522 0.937791 O\n0.886891 0.700645 0.484992 O\n0.413309 0.560271 0.765419 O\n0.200995 0.380648 0.990888 O\n0.937791 0.085166 0.728522 O\n0.765419 0.413309 0.560271 O\n0.560271 0.765419 0.413309 O\n0.613887 0.012281 0.797793 O\n0.265001 0.065032 0.917148 O\n0.012281 0.797793 0.613887 O\n0.990888 0.200995 0.380648 O\n0.728522 0.937791 0.085166 O\n0.380648 0.990888 0.200995 O\n0.433789 0.234622 0.587356 O\n0.234622 0.587356 0.433789 O\n0.065032 0.917148 0.265001 O\n0.797793 0.613887 0.012281 O\n0.587356 0.433789 0.234622 O\n0.110891 0.301666 0.514073 O\n0.917148 0.265001 0.065032 O\n0.514073 0.110891 0.301666 O\n0.301666 0.514073 0.110891 O\n",
            "nsites": 36,
            "nelements": 5,
            "elements": [
                "Li",
                "Ni",
                "Sn",
                "P",
                "O"
            ],
            "chemical_system": "Li-Ni-O-P-Sn",
            "density": 3.4077121574923392,
            "density_atomic": 0.07398669640390067,
            "volume": 486.5739619386768,
            "volume_molar": 8.139491358182207,
            "formula_full": "Li2 Ni1 Sn3 P6 O24",
            "formula_reduced": "Li2NiSn3(PO4)6",
            "formula_anonymous": "AB2C3D6E24",
            "energy": -258.43972309000003,
            "energy_per_atom": -7.178881196944445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -239.41072309000003,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.000141,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.573000Z",
            "spacegroup": 146
        }
    ]
}