GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=20
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=21",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=19",
    "results": [
        {
            "id": "mp-1095287",
            "created_at": "2022-09-04T14:44:30.117734Z",
            "structure_string": "Sc1 Tl1 P2 S7\n1.0\n5.032658 4.373977 0.000000\n-5.032658 4.373977 0.000000\n0.000000 1.033131 6.461142\nSc Tl P S\n1 1 2 7\ndirect\n0.554653 0.445347 0.000000 Sc\n0.147166 0.852834 0.500000 Tl\n0.104433 0.294122 0.911287 P\n0.705878 0.895567 0.088713 P\n0.361475 0.307502 0.709999 S\n0.692498 0.638525 0.290001 S\n0.583098 0.819880 0.832335 S\n0.180120 0.416902 0.167665 S\n0.031936 0.968064 0.000000 S\n0.882717 0.399054 0.758255 S\n0.600946 0.117283 0.241745 S\n",
            "nsites": 11,
            "nelements": 4,
            "elements": [
                "Sc",
                "Tl",
                "P",
                "S"
            ],
            "chemical_system": "P-S-Sc-Tl",
            "density": 3.1274572585033726,
            "density_atomic": 0.038670473531876574,
            "volume": 284.45475308008724,
            "volume_molar": 15.572968753630263,
            "formula_full": "Sc1 Tl1 P2 S7",
            "formula_reduced": "ScTlP2S7",
            "formula_anonymous": "ABC2D7",
            "energy": -59.28566406,
            "energy_per_atom": -5.389605823636364,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -55.76466406,
            "band_gap": 1.9704999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005583,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:43.045000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1103943",
            "created_at": "2022-09-04T14:44:28.595651Z",
            "structure_string": "Er3 Ga9 Ru3\n1.0\n6.405082 0.000000 0.000000\n0.000000 6.405082 0.000000\n0.000000 0.000000 6.405082\nEr Ga Ru\n3 9 3\ndirect\n0.500000 0.500000 0.000000 Er\n0.500000 0.000000 0.500000 Er\n0.000000 0.500000 0.500000 Er\n0.500000 0.500000 0.500000 Ga\n0.211401 0.211401 0.788599 Ga\n0.211401 0.788599 0.211401 Ga\n0.788599 0.211401 0.211401 Ga\n0.788599 0.788599 0.788599 Ga\n0.788599 0.788599 0.211401 Ga\n0.788599 0.211401 0.788599 Ga\n0.211401 0.788599 0.788599 Ga\n0.211401 0.211401 0.211401 Ga\n0.000000 0.000000 0.500000 Ru\n0.000000 0.500000 0.000000 Ru\n0.500000 0.000000 0.000000 Ru\n",
            "nsites": 15,
            "nelements": 3,
            "elements": [
                "Er",
                "Ga",
                "Ru"
            ],
            "chemical_system": "Er-Ga-Ru",
            "density": 9.052485269007727,
            "density_atomic": 0.05708436531318491,
            "volume": 262.76897216435225,
            "volume_molar": 10.549544918228342,
            "formula_full": "Er3 Ga9 Ru3",
            "formula_reduced": "ErGa3Ru",
            "formula_anonymous": "ABC3",
            "energy": -77.53979608,
            "energy_per_atom": -5.169319738666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -77.53979608,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:40.591000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-15661",
            "created_at": "2022-09-04T14:44:29.453258Z",
            "structure_string": "Sc8 C6\n1.0\n-3.613190 3.613190 3.613190\n3.613190 -3.613190 3.613190\n3.613190 3.613190 -3.613190\nSc C\n8 6\ndirect\n0.500000 0.000000 0.401432 Sc\n0.598568 0.598568 0.598568 Sc\n0.000000 0.401432 0.500000 Sc\n0.401432 0.500000 0.000000 Sc\n0.000000 0.901432 0.500000 Sc\n0.901432 0.500000 0.000000 Sc\n0.500000 0.000000 0.901432 Sc\n0.098568 0.098568 0.098568 Sc\n0.875000 0.125000 0.750000 C\n0.375000 0.250000 0.625000 C\n0.125000 0.750000 0.875000 C\n0.750000 0.875000 0.125000 C\n0.250000 0.625000 0.375000 C\n0.625000 0.375000 0.250000 C\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Sc",
                "C"
            ],
            "chemical_system": "C-Sc",
            "density": 3.799358904962551,
            "density_atomic": 0.07419858882769068,
            "volume": 188.68283374649903,
            "volume_molar": 8.116247027264968,
            "formula_full": "Sc8 C6",
            "formula_reduced": "Sc4C3",
            "formula_anonymous": "A3B4",
            "energy": -112.8174614,
            "energy_per_atom": -8.0583901,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -112.8174614,
            "band_gap": 0.3287000000000004,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:39.567000Z",
            "spacegroup": 220
        },
        {
            "id": "mp-542593",
            "created_at": "2022-09-04T14:44:28.109381Z",
            "structure_string": "Nd4 Ge8 Ir4\n1.0\n-2.197380 4.507893 8.159108\n2.197380 -4.507893 8.159108\n2.197380 4.507893 -8.159108\nNd Ge Ir\n4 8 4\ndirect\n0.706391 0.206391 0.500000 Nd\n0.293609 0.793609 0.500000 Nd\n0.739854 0.000000 0.739854 Nd\n0.260146 0.000000 0.260146 Nd\n0.422470 0.422470 0.000000 Ge\n0.577530 0.577530 0.000000 Ge\n0.921094 0.421094 0.500000 Ge\n0.078906 0.578906 0.500000 Ge\n0.044671 0.198756 0.845916 Ge\n0.955329 0.801244 0.154084 Ge\n0.647160 0.801244 0.845916 Ge\n0.352840 0.198756 0.154084 Ge\n0.101598 0.353560 0.748038 Ir\n0.898402 0.646440 0.251962 Ir\n0.394477 0.646440 0.748038 Ir\n0.605523 0.353560 0.251962 Ir\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Nd",
                "Ge",
                "Ir"
            ],
            "chemical_system": "Ge-Ir-Nd",
            "density": 9.89781782388417,
            "density_atomic": 0.04949240329129752,
            "volume": 323.2819369435098,
            "volume_molar": 12.167808308995374,
            "formula_full": "Nd4 Ge8 Ir4",
            "formula_reduced": "NdGe2Ir",
            "formula_anonymous": "ABC2",
            "energy": -104.20836761,
            "energy_per_atom": -6.513022975625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -104.20836761,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.08e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:40.155000Z",
            "spacegroup": 71
        },
        {
            "id": "mp-1201907",
            "created_at": "2022-09-04T14:44:30.136032Z",
            "structure_string": "Ba20 Hg103\n1.0\n0.000000 12.132016 12.132016\n12.132016 0.000000 12.132016\n12.132016 12.132016 0.000000\nBa Hg\n20 103\ndirect\n0.595249 0.595249 0.214253 Ba\n0.595249 0.214253 0.595249 Ba\n0.214253 0.595249 0.595249 Ba\n0.595249 0.595249 0.595249 Ba\n0.841811 0.841811 0.474568 Ba\n0.841811 0.474568 0.841811 Ba\n0.474568 0.841811 0.841811 Ba\n0.841811 0.841811 0.841811 Ba\n0.183480 0.183480 0.816520 Ba\n0.816520 0.183480 0.816520 Ba\n0.183480 0.816520 0.816520 Ba\n0.816520 0.816520 0.183480 Ba\n0.183480 0.816520 0.183480 Ba\n0.816520 0.183480 0.183480 Ba\n0.055107 0.055107 0.444893 Ba\n0.444893 0.055107 0.444893 Ba\n0.055107 0.444893 0.444893 Ba\n0.444893 0.444893 0.055107 Ba\n0.055107 0.444893 0.055107 Ba\n0.444893 0.055107 0.055107 Ba\n0.420134 0.826082 0.106510 Hg\n0.647274 0.420134 0.106510 Hg\n0.826082 0.647274 0.106510 Hg\n0.647274 0.826082 0.106510 Hg\n0.826082 0.420134 0.106510 Hg\n0.420134 0.647274 0.106510 Hg\n0.647274 0.106510 0.826082 Hg\n0.826082 0.106510 0.420134 Hg\n0.420134 0.106510 0.647274 Hg\n0.420134 0.106510 0.826082 Hg\n0.647274 0.106510 0.420134 Hg\n0.826082 0.106510 0.647274 Hg\n0.106510 0.647274 0.420134 Hg\n0.106510 0.826082 0.647274 Hg\n0.106510 0.420134 0.826082 Hg\n0.106510 0.420134 0.647274 Hg\n0.106510 0.647274 0.826082 Hg\n0.106510 0.826082 0.420134 Hg\n0.826082 0.420134 0.647274 Hg\n0.420134 0.647274 0.826082 Hg\n0.647274 0.826082 0.420134 Hg\n0.826082 0.647274 0.420134 Hg\n0.420134 0.826082 0.647274 Hg\n0.647274 0.420134 0.826082 Hg\n0.618616 0.795073 0.967695 Hg\n0.618616 0.618616 0.967695 Hg\n0.795073 0.618616 0.967695 Hg\n0.618616 0.967695 0.795073 Hg\n0.795073 0.967695 0.618616 Hg\n0.618616 0.967695 0.618616 Hg\n0.967695 0.618616 0.618616 Hg\n0.967695 0.795073 0.618616 Hg\n0.967695 0.618616 0.795073 Hg\n0.795073 0.618616 0.618616 Hg\n0.618616 0.618616 0.795073 Hg\n0.618616 0.795073 0.618616 Hg\n0.992593 0.301507 0.713307 Hg\n0.992593 0.992593 0.713307 Hg\n0.301507 0.992593 0.713307 Hg\n0.992593 0.713307 0.301507 Hg\n0.301507 0.713307 0.992593 Hg\n0.992593 0.713307 0.992593 Hg\n0.713307 0.992593 0.992593 Hg\n0.713307 0.301507 0.992593 Hg\n0.713307 0.992593 0.301507 Hg\n0.301507 0.992593 0.992593 Hg\n0.992593 0.992593 0.301507 Hg\n0.992593 0.301507 0.992593 Hg\n0.455307 0.819845 0.269540 Hg\n0.455307 0.455307 0.269540 Hg\n0.819845 0.455307 0.269540 Hg\n0.455307 0.269540 0.819845 Hg\n0.819845 0.269540 0.455307 Hg\n0.455307 0.269540 0.455307 Hg\n0.269540 0.455307 0.455307 Hg\n0.269540 0.819845 0.455307 Hg\n0.269540 0.455307 0.819845 Hg\n0.819845 0.455307 0.455307 Hg\n0.455307 0.455307 0.819845 Hg\n0.455307 0.819845 0.455307 Hg\n0.201132 0.201132 0.396604 Hg\n0.201132 0.396604 0.201132 Hg\n0.396604 0.201132 0.201132 Hg\n0.201132 0.201132 0.201132 Hg\n0.326482 0.326482 0.020555 Hg\n0.326482 0.020555 0.326482 Hg\n0.020555 0.326482 0.326482 Hg\n0.326482 0.326482 0.326482 Hg\n0.454250 0.454250 0.637250 Hg\n0.454250 0.637250 0.454250 Hg\n0.637250 0.454250 0.454250 Hg\n0.454250 0.454250 0.454250 Hg\n0.048648 0.048648 0.854055 Hg\n0.048648 0.854055 0.048648 Hg\n0.854055 0.048648 0.048648 Hg\n0.048648 0.048648 0.048648 Hg\n0.926566 0.926566 0.220302 Hg\n0.926566 0.220302 0.926566 Hg\n0.220302 0.926566 0.926566 Hg\n0.926566 0.926566 0.926566 Hg\n0.241220 0.956760 0.560801 Hg\n0.241220 0.241220 0.560801 Hg\n0.956760 0.241220 0.560801 Hg\n0.241220 0.560801 0.956760 Hg\n0.956760 0.560801 0.241220 Hg\n0.241220 0.560801 0.241220 Hg\n0.560801 0.241220 0.241220 Hg\n0.560801 0.956760 0.241220 Hg\n0.560801 0.241220 0.956760 Hg\n0.956760 0.241220 0.241220 Hg\n0.241220 0.241220 0.956760 Hg\n0.241220 0.956760 0.241220 Hg\n0.323367 0.323367 0.676633 Hg\n0.676633 0.323367 0.676633 Hg\n0.323367 0.676633 0.676633 Hg\n0.676633 0.676633 0.323367 Hg\n0.323367 0.676633 0.323367 Hg\n0.676633 0.323367 0.323367 Hg\n0.750000 0.750000 0.750000 Hg\n0.123640 0.123640 0.629081 Hg\n0.123640 0.629081 0.123640 Hg\n0.629081 0.123640 0.123640 Hg\n0.123640 0.123640 0.123640 Hg\n",
            "nsites": 123,
            "nelements": 2,
            "elements": [
                "Ba",
                "Hg"
            ],
            "chemical_system": "Ba-Hg",
            "density": 10.88357778360348,
            "density_atomic": 0.03444103487830956,
            "volume": 3571.321257755339,
            "volume_molar": 17.485365295433247,
            "formula_full": "Ba20 Hg103",
            "formula_reduced": "Ba20Hg103",
            "formula_anonymous": "A20B103",
            "energy": -107.2621829,
            "energy_per_atom": -0.8720502674796747,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -107.2621829,
            "band_gap": 0.1802999999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.2615124,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:42.444000Z",
            "spacegroup": 216
        },
        {
            "id": "mp-13836",
            "created_at": "2022-09-04T14:44:30.147916Z",
            "structure_string": "U2 Rh4 O12\n1.0\n4.823920 0.000000 0.000000\n0.000000 4.823920 0.000000\n0.000000 0.000000 9.440152\nU Rh O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.330024 Rh\n0.500000 0.500000 0.830024 Rh\n0.000000 0.000000 0.669976 Rh\n0.500000 0.500000 0.169976 Rh\n0.701337 0.701337 0.666752 O\n0.298663 0.298663 0.666752 O\n0.701337 0.701337 0.333248 O\n0.201337 0.798663 0.166752 O\n0.798663 0.201337 0.166752 O\n0.798663 0.201337 0.833248 O\n0.311897 0.311897 0.000000 O\n0.188103 0.811897 0.500000 O\n0.811897 0.188103 0.500000 O\n0.688103 0.688103 0.000000 O\n0.298663 0.298663 0.333248 O\n0.201337 0.798663 0.833248 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "U",
                "Rh",
                "O"
            ],
            "chemical_system": "O-Rh-U",
            "density": 8.161350031284245,
            "density_atomic": 0.08193950278614644,
            "volume": 219.6742644018493,
            "volume_molar": 7.349496342096632,
            "formula_full": "U2 Rh4 O12",
            "formula_reduced": "U(RhO3)2",
            "formula_anonymous": "AB2C6",
            "energy": -151.68747173,
            "energy_per_atom": -8.427081762777778,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -143.44347173,
            "band_gap": 0.4288999999999996,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000412,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:44.662000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-1195139",
            "created_at": "2022-09-04T14:44:30.160131Z",
            "structure_string": "Sc4 H16 S8 O40\n1.0\n0.116118 0.000000 8.759428\n9.307300 0.000000 -2.051182\n0.000000 10.775999 0.000000\nSc H S O\n4 16 8 40\ndirect\n0.754371 0.496675 0.125609 Sc\n0.745629 0.503325 0.625609 Sc\n0.245629 0.503325 0.874391 Sc\n0.254371 0.496675 0.374391 Sc\n0.986506 0.957765 0.167953 H\n0.513494 0.042235 0.667953 H\n0.013494 0.042235 0.832047 H\n0.486506 0.957765 0.332047 H\n0.917568 0.072189 0.248466 H\n0.582432 0.927811 0.748466 H\n0.082432 0.927811 0.751534 H\n0.417568 0.072189 0.251534 H\n0.716848 0.103758 0.058879 H\n0.783152 0.896242 0.558879 H\n0.283152 0.896242 0.941121 H\n0.216848 0.103758 0.441121 H\n0.661337 0.941784 0.017533 H\n0.838663 0.058216 0.517533 H\n0.338663 0.058216 0.982467 H\n0.161337 0.941784 0.482467 H\n0.140316 0.681179 0.126406 S\n0.359684 0.318821 0.626406 S\n0.859684 0.318821 0.873594 S\n0.640316 0.681179 0.373594 S\n0.360119 0.321505 0.123035 S\n0.139881 0.678495 0.623035 S\n0.639881 0.678495 0.876965 S\n0.860119 0.321505 0.376965 S\n0.989147 0.576337 0.124173 O\n0.510853 0.423663 0.624173 O\n0.010853 0.423663 0.875827 O\n0.489147 0.576337 0.375827 O\n0.226635 0.662100 0.009166 O\n0.273365 0.337900 0.509166 O\n0.773365 0.337900 0.990834 O\n0.726635 0.662100 0.490834 O\n0.121742 0.828661 0.135774 O\n0.378258 0.171339 0.635774 O\n0.878258 0.171339 0.864226 O\n0.621742 0.828661 0.364226 O\n0.233604 0.643104 0.232840 O\n0.266396 0.356896 0.732839 O\n0.766396 0.356896 0.767161 O\n0.733604 0.643104 0.267161 O\n0.514964 0.419928 0.124431 O\n0.985036 0.580072 0.624431 O\n0.485036 0.580072 0.875569 O\n0.014964 0.419928 0.375569 O\n0.374079 0.170836 0.114036 O\n0.125921 0.829164 0.614036 O\n0.625921 0.829164 0.885964 O\n0.874079 0.170836 0.385964 O\n0.275632 0.342563 0.239371 O\n0.224368 0.657437 0.739371 O\n0.724368 0.657437 0.760629 O\n0.775632 0.342563 0.260629 O\n0.268953 0.358671 0.015703 O\n0.231047 0.641329 0.515703 O\n0.731047 0.641329 0.984297 O\n0.768953 0.358671 0.484297 O\n0.944851 0.047079 0.162743 O\n0.555149 0.952921 0.662743 O\n0.055149 0.952921 0.837257 O\n0.444851 0.047079 0.337257 O\n0.659790 0.009629 0.088078 O\n0.840210 0.990371 0.588078 O\n0.340210 0.990371 0.911922 O\n0.159790 0.009629 0.411922 O\n",
            "nsites": 68,
            "nelements": 4,
            "elements": [
                "Sc",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "H-O-S-Sc",
            "density": 2.0588533372756337,
            "density_atomic": 0.07717648123600662,
            "volume": 881.0974394136365,
            "volume_molar": 7.8030776520948395,
            "formula_full": "Sc4 H16 S8 O40",
            "formula_reduced": "ScH4(SO5)2",
            "formula_anonymous": "AB2C4D10",
            "energy": -438.13768562,
            "energy_per_atom": -6.4432012591176475,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -410.65768562,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0001578,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:45.106000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-12860",
            "created_at": "2022-09-04T14:44:30.221739Z",
            "structure_string": "Na3 Cu2 Sb1 O6\n1.0\n4.472067 2.939517 0.000000\n-4.472067 2.939517 0.000000\n0.000000 2.505606 5.402654\nNa Cu Sb O\n3 2 1 6\ndirect\n0.827410 0.172590 0.500000 Na\n0.172590 0.827410 0.500000 Na\n0.500000 0.500000 0.500000 Na\n0.333381 0.666619 0.000000 Cu\n0.666619 0.333381 0.000000 Cu\n0.000000 0.000000 0.000000 Sb\n0.639139 0.967635 0.226456 O\n0.745861 0.745861 0.831777 O\n0.254139 0.254139 0.168223 O\n0.967635 0.639139 0.226456 O\n0.360861 0.032365 0.773544 O\n0.032365 0.360861 0.773544 O\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Na",
                "Cu",
                "Sb",
                "O"
            ],
            "chemical_system": "Cu-Na-O-Sb",
            "density": 4.8376755704555805,
            "density_atomic": 0.08448115011403647,
            "volume": 142.04352075938667,
            "volume_molar": 7.128383967158405,
            "formula_full": "Na3 Cu2 Sb1 O6",
            "formula_reduced": "Na3Cu2SbO6",
            "formula_anonymous": "AB2C3D6",
            "energy": -65.12582056,
            "energy_per_atom": -5.427151713333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -61.00382056,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005611,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:41.325000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-16745",
            "created_at": "2022-09-04T14:44:30.265787Z",
            "structure_string": "Er3 Ag3 Pb3\n1.0\n3.755085 -6.503999 0.000000\n3.755085 6.503999 0.000000\n0.000000 0.000000 4.555637\nEr Ag Pb\n3 3 3\ndirect\n0.568759 0.000000 0.500000 Er\n0.431241 0.431241 0.500000 Er\n0.000000 0.568759 0.500000 Er\n0.753936 0.753936 0.000000 Ag\n0.000000 0.246064 0.000000 Ag\n0.246064 0.000000 0.000000 Ag\n0.000000 0.000000 0.500000 Pb\n0.333333 0.666667 0.000000 Pb\n0.666667 0.333333 0.000000 Pb\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Er",
                "Ag",
                "Pb"
            ],
            "chemical_system": "Ag-Er-Pb",
            "density": 10.797737391544137,
            "density_atomic": 0.04044484396724803,
            "volume": 222.52527435358982,
            "volume_molar": 14.889761386832621,
            "formula_full": "Er3 Ag3 Pb3",
            "formula_reduced": "ErAgPb",
            "formula_anonymous": "ABC",
            "energy": -36.5186793,
            "energy_per_atom": -4.057631033333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -36.5186793,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 7.13e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:44.556000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-1310",
            "created_at": "2022-09-04T14:44:29.472523Z",
            "structure_string": "Tb2 Rh4\n1.0\n0.000000 3.786991 3.786991\n3.786991 0.000000 3.786991\n3.786991 3.786991 0.000000\nTb Rh\n2 4\ndirect\n0.750000 0.750000 0.750000 Tb\n0.500000 0.500000 0.500000 Tb\n0.125000 0.625000 0.125000 Rh\n0.125000 0.125000 0.625000 Rh\n0.625000 0.125000 0.125000 Rh\n0.125000 0.125000 0.125000 Rh\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Tb",
                "Rh"
            ],
            "chemical_system": "Rh-Tb",
            "density": 11.151809093484646,
            "density_atomic": 0.055238062325968465,
            "volume": 108.62075437391448,
            "volume_molar": 10.902157871618309,
            "formula_full": "Tb2 Rh4",
            "formula_reduced": "TbRh2",
            "formula_anonymous": "AB2",
            "energy": -43.1472109,
            "energy_per_atom": -7.191201816666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -43.1472109,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 3.68e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:43.464000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-560097",
            "created_at": "2022-09-04T14:44:28.884558Z",
            "structure_string": "Ca12 Te12 O36\n1.0\n5.749993 0.000000 0.000000\n0.000000 8.673750 0.000000\n0.000000 8.174878 21.438283\nCa Te O\n12 12 36\ndirect\n0.270468 0.019892 0.440638 Ca\n0.729532 0.980108 0.559362 Ca\n0.657012 0.993389 0.816391 Ca\n0.229532 0.019892 0.940638 Ca\n0.173597 0.299937 0.774937 Ca\n0.157012 0.006611 0.683609 Ca\n0.673597 0.700063 0.725063 Ca\n0.826403 0.700063 0.225063 Ca\n0.770468 0.980108 0.059362 Ca\n0.342988 0.006611 0.183609 Ca\n0.842988 0.993389 0.316391 Ca\n0.326403 0.299937 0.274937 Ca\n0.755858 0.692881 0.488083 Te\n0.735765 0.322349 0.874835 Te\n0.255858 0.307119 0.011917 Te\n0.837652 0.255367 0.163798 Te\n0.662348 0.255367 0.663798 Te\n0.235765 0.677651 0.625165 Te\n0.264235 0.677651 0.125165 Te\n0.744142 0.692881 0.988083 Te\n0.162348 0.744633 0.836202 Te\n0.337652 0.744633 0.336202 Te\n0.764235 0.322349 0.374835 Te\n0.244142 0.307119 0.511917 Te\n0.011654 0.190058 0.991440 O\n0.046067 0.238712 0.353698 O\n0.349659 0.530085 0.703011 O\n0.599787 0.212591 0.224638 O\n0.900213 0.212591 0.724638 O\n0.727129 0.753248 0.401218 O\n0.735552 0.078050 0.140884 O\n0.015616 0.164501 0.501408 O\n0.984384 0.835499 0.498592 O\n0.484384 0.164501 0.001408 O\n0.431680 0.150643 0.724656 O\n0.235552 0.921950 0.359116 O\n0.764448 0.078050 0.640884 O\n0.099787 0.787409 0.275362 O\n0.849659 0.469915 0.796989 O\n0.772871 0.753248 0.901218 O\n0.227129 0.246752 0.098782 O\n0.083484 0.854695 0.130414 O\n0.568320 0.849357 0.275344 O\n0.150341 0.530085 0.203011 O\n0.988346 0.809942 0.008560 O\n0.650341 0.469915 0.296989 O\n0.931680 0.849357 0.775344 O\n0.916516 0.145305 0.869586 O\n0.583484 0.145305 0.369586 O\n0.416516 0.854695 0.630414 O\n0.400213 0.787409 0.775362 O\n0.453933 0.238712 0.853698 O\n0.546067 0.761288 0.146302 O\n0.272871 0.246752 0.598782 O\n0.068320 0.150643 0.224656 O\n0.511654 0.809942 0.508560 O\n0.264448 0.921950 0.859116 O\n0.515616 0.835499 0.998592 O\n0.953933 0.761288 0.646302 O\n0.488346 0.190058 0.491440 O\n",
            "nsites": 60,
            "nelements": 3,
            "elements": [
                "Ca",
                "Te",
                "O"
            ],
            "chemical_system": "Ca-O-Te",
            "density": 4.019465917819278,
            "density_atomic": 0.05611604234842622,
            "volume": 1069.212964582537,
            "volume_molar": 10.731584958554889,
            "formula_full": "Ca12 Te12 O36",
            "formula_reduced": "CaTeO3",
            "formula_anonymous": "ABC3",
            "energy": -383.78399956,
            "energy_per_atom": -6.396399992666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -359.05199956,
            "band_gap": 3.1794,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003072,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:35.610000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1103174",
            "created_at": "2022-09-04T14:44:30.500377Z",
            "structure_string": "Tl2 Fe4 S6\n1.0\n4.463634 -5.403415 0.000000\n4.463634 5.403415 0.000000\n0.000000 0.000000 5.148823\nTl Fe S\n2 4 6\ndirect\n0.341581 0.658419 0.750000 Tl\n0.658419 0.341581 0.250000 Tl\n0.142377 0.142377 0.000000 Fe\n0.142377 0.142377 0.500000 Fe\n0.857623 0.857623 0.000000 Fe\n0.857623 0.857623 0.500000 Fe\n0.887676 0.112324 0.750000 S\n0.112324 0.887676 0.250000 S\n0.386600 0.164671 0.750000 S\n0.164671 0.386600 0.250000 S\n0.613400 0.835329 0.250000 S\n0.835329 0.613400 0.750000 S\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Tl",
                "Fe",
                "S"
            ],
            "chemical_system": "Fe-S-Tl",
            "density": 5.51269768377958,
            "density_atomic": 0.04831548983589453,
            "volume": 248.36755336142662,
            "volume_molar": 12.464203054661018,
            "formula_full": "Tl2 Fe4 S6",
            "formula_reduced": "TlFe2S3",
            "formula_anonymous": "AB2C3",
            "energy": -71.30158221,
            "energy_per_atom": -5.9417985175000005,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -68.28358221,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002271,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:43.405000Z",
            "spacegroup": 63
        }
    ]
}