GET /third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=10263
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=-energy_above_hull&page=10264",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=10262",
    "results": [
        {
            "id": "mp-561145",
            "created_at": "2022-09-04T14:40:26.900707Z",
            "structure_string": "Sr3 Ce1 P1 C3 O13\n1.0\n4.279964 -5.099644 0.000000\n4.279964 5.099644 0.000000\n-1.796342 0.000000 6.410742\nSr Ce P C O\n3 1 1 3 13\ndirect\n0.920884 0.474101 0.474101 Sr\n0.474101 0.474101 0.920884 Sr\n0.474101 0.920884 0.474101 Sr\n0.000120 0.000120 0.000120 Ce\n0.420493 0.420493 0.420493 P\n0.933078 0.933078 0.434123 C\n0.434123 0.933078 0.933078 C\n0.933078 0.434123 0.933078 C\n0.060011 0.840542 0.342795 O\n0.342795 0.060011 0.840542 O\n0.605339 0.888792 0.888792 O\n0.561380 0.561380 0.313921 O\n0.255455 0.255455 0.255455 O\n0.840542 0.342795 0.060011 O\n0.840542 0.060011 0.342795 O\n0.313921 0.561380 0.561380 O\n0.888792 0.888792 0.605339 O\n0.060011 0.342795 0.840542 O\n0.342795 0.840542 0.060011 O\n0.561380 0.313921 0.561380 O\n0.888792 0.605339 0.888792 O\n",
            "nsites": 21,
            "nelements": 5,
            "elements": [
                "Sr",
                "Ce",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Ce-O-P-Sr",
            "density": 4.022943248069758,
            "density_atomic": 0.07504141668365749,
            "volume": 279.8454630531166,
            "volume_molar": 8.025089378824989,
            "formula_full": "Sr3 Ce1 P1 C3 O13",
            "formula_reduced": "Sr3CePC3O13",
            "formula_anonymous": "ABC3D3E13",
            "energy": -169.18616489,
            "energy_per_atom": -8.056484042380951,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -160.25516489,
            "band_gap": 0.0539999999999993,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 0.9999915,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:05.242000Z",
            "spacegroup": 160
        },
        {
            "id": "mp-556242",
            "created_at": "2022-09-04T14:40:26.920777Z",
            "structure_string": "Y3 F9\n1.0\n5.385343 0.000000 0.000000\n0.000000 5.385343 0.000000\n0.000000 0.000000 5.385343\nY F\n3 9\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Y\n0.242479 0.757521 0.757521 F\n0.757521 0.757521 0.242479 F\n0.757521 0.242479 0.242479 F\n0.757521 0.242479 0.757521 F\n0.500000 0.500000 0.500000 F\n0.242479 0.757521 0.242479 F\n0.242479 0.242479 0.757521 F\n0.757521 0.757521 0.757521 F\n0.242479 0.242479 0.242479 F\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "Y",
                "F"
            ],
            "chemical_system": "F-Y",
            "density": 4.6535961353815685,
            "density_atomic": 0.07683182302849988,
            "volume": 156.18528269918494,
            "volume_molar": 7.838081308790703,
            "formula_full": "Y3 F9",
            "formula_reduced": "YF3",
            "formula_anonymous": "AB3",
            "energy": -87.33276089,
            "energy_per_atom": -7.277730074166667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -83.17476089,
            "band_gap": 5.617299999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 9.18e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.382000Z",
            "spacegroup": 221
        },
        {
            "id": "mp-557044",
            "created_at": "2022-09-04T14:40:26.936650Z",
            "structure_string": "Yb2 Cl6 O24\n1.0\n8.613356 -4.199418 0.000000\n8.613356 4.199418 0.000000\n6.565941 0.000000 6.979501\nYb Cl O\n2 6 24\ndirect\n0.940248 0.940248 0.940248 Yb\n0.440248 0.440248 0.440248 Yb\n0.659876 0.032880 0.307858 Cl\n0.307858 0.659876 0.032880 Cl\n0.032880 0.307858 0.659876 Cl\n0.159876 0.807858 0.532880 Cl\n0.532880 0.159876 0.807858 Cl\n0.807858 0.532880 0.159876 Cl\n0.749586 0.422291 0.367204 O\n0.118658 0.799426 0.711939 O\n0.080313 0.163911 0.606471 O\n0.867204 0.922291 0.249586 O\n0.711939 0.118658 0.799426 O\n0.367204 0.749586 0.422291 O\n0.922291 0.249586 0.867204 O\n0.995404 0.426050 0.055585 O\n0.422291 0.367204 0.749586 O\n0.618658 0.211939 0.299426 O\n0.106471 0.663911 0.580313 O\n0.299426 0.618658 0.211939 O\n0.555585 0.926050 0.495404 O\n0.606471 0.080313 0.163911 O\n0.426050 0.055585 0.995404 O\n0.663911 0.580313 0.106471 O\n0.926050 0.495404 0.555585 O\n0.211939 0.299426 0.618658 O\n0.495404 0.555585 0.926050 O\n0.163911 0.606471 0.080313 O\n0.580313 0.106471 0.663911 O\n0.055585 0.995404 0.426050 O\n0.799426 0.711939 0.118658 O\n0.249586 0.867204 0.922291 O\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Yb",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-O-Yb",
            "density": 3.1005964418985776,
            "density_atomic": 0.06337735436049967,
            "volume": 504.91220914617725,
            "volume_molar": 9.50203873412762,
            "formula_full": "Yb2 Cl6 O24",
            "formula_reduced": "Yb(ClO4)3",
            "formula_anonymous": "AB3C12",
            "energy": -159.25899767,
            "energy_per_atom": -4.9768436771875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -142.77099767,
            "band_gap": 5.9099,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 1.7646565,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.084000Z",
            "spacegroup": 161
        },
        {
            "id": "mp-756152",
            "created_at": "2022-09-04T14:40:26.937602Z",
            "structure_string": "Sm4 U2 O11\n1.0\n2.746882 6.210908 0.000000\n-2.746882 6.210908 0.000000\n0.000000 2.298776 7.243968\nSm U O\n4 2 11\ndirect\n0.960582 0.680609 0.587296 Sm\n0.689607 0.312083 0.761406 Sm\n0.687917 0.310393 0.238594 Sm\n0.319391 0.039418 0.412704 Sm\n0.019855 0.659852 0.074371 U\n0.340148 0.980145 0.925629 U\n0.915909 0.084091 0.500000 O\n0.765647 0.891403 0.302667 O\n0.718750 0.916886 0.858638 O\n0.945447 0.054553 0.000000 O\n0.242239 0.462535 0.824871 O\n0.410538 0.589462 0.000000 O\n0.574831 0.736709 0.660650 O\n0.537465 0.757761 0.175129 O\n0.263291 0.425169 0.339350 O\n0.108597 0.234353 0.697333 O\n0.083114 0.281250 0.141362 O\n",
            "nsites": 17,
            "nelements": 3,
            "elements": [
                "Sm",
                "U",
                "O"
            ],
            "chemical_system": "O-Sm-U",
            "density": 8.421099042550404,
            "density_atomic": 0.06877764526314806,
            "volume": 247.17333568133682,
            "volume_molar": 8.75595658583377,
            "formula_full": "Sm4 U2 O11",
            "formula_reduced": "Sm4U2O11",
            "formula_anonymous": "A2B4C11",
            "energy": -161.14084624999998,
            "energy_per_atom": -9.478873308823529,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -153.58384625,
            "band_gap": 0.0653999999999994,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9992793,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:55.691000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-1198277",
            "created_at": "2022-09-04T14:40:26.942885Z",
            "structure_string": "U8 Cl4 O36\n1.0\n9.871050 0.000000 0.000000\n0.000000 10.043783 0.000000\n-6.332237 0.000000 10.705919\nU Cl O\n8 4 36\ndirect\n0.523475 0.566357 0.364027 U\n0.523475 0.933643 0.864027 U\n0.476525 0.433643 0.635973 U\n0.476525 0.066357 0.135973 U\n0.134909 0.626542 0.402888 U\n0.134909 0.873458 0.902888 U\n0.865091 0.373458 0.597112 U\n0.865091 0.126542 0.097112 U\n0.230344 0.702511 0.223303 Cl\n0.230344 0.797489 0.723303 Cl\n0.769656 0.297489 0.776697 Cl\n0.769656 0.202511 0.276697 Cl\n0.618981 0.711261 0.462686 O\n0.618981 0.788739 0.962686 O\n0.381019 0.288739 0.537314 O\n0.381019 0.211261 0.037314 O\n0.417765 0.416048 0.280633 O\n0.417765 0.083952 0.780633 O\n0.582235 0.583952 0.719367 O\n0.582235 0.916048 0.219367 O\n0.192942 0.801437 0.443930 O\n0.192942 0.698563 0.943930 O\n0.807058 0.198563 0.556070 O\n0.807058 0.301437 0.056070 O\n0.058797 0.470203 0.314603 O\n0.058797 0.029797 0.814603 O\n0.941203 0.529797 0.685397 O\n0.941203 0.970203 0.185397 O\n0.376182 0.560681 0.455005 O\n0.376182 0.939319 0.955005 O\n0.623818 0.439319 0.544995 O\n0.623818 0.060681 0.044995 O\n0.762999 0.476274 0.430435 O\n0.762999 0.023726 0.930435 O\n0.237001 0.523726 0.569565 O\n0.237001 0.976274 0.069565 O\n0.549099 0.628142 0.233707 O\n0.549099 0.871858 0.733707 O\n0.450901 0.371858 0.766293 O\n0.450901 0.128142 0.266293 O\n0.943088 0.658238 0.412777 O\n0.943088 0.841762 0.912777 O\n0.056912 0.341762 0.587223 O\n0.056912 0.158238 0.087223 O\n0.930392 0.716614 0.224291 O\n0.930392 0.783386 0.724291 O\n0.069608 0.283386 0.775709 O\n0.069608 0.216614 0.275709 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "U",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-O-U",
            "density": 4.102048111505044,
            "density_atomic": 0.04522271283184035,
            "volume": 1061.413546296679,
            "volume_molar": 13.316628709102869,
            "formula_full": "U8 Cl4 O36",
            "formula_reduced": "U2ClO9",
            "formula_anonymous": "AB2C9",
            "energy": -363.311186,
            "energy_per_atom": -7.568983041666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -338.579186,
            "band_gap": 0.0784,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 16.0047651,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.498000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-972380",
            "created_at": "2022-09-04T14:40:26.944624Z",
            "structure_string": "Tb6 Re2 B14\n1.0\n1.774815 -7.935619 0.000000\n1.774815 7.935619 0.000000\n0.000000 0.000000 9.391833\nTb Re B\n6 2 14\ndirect\n0.894838 0.105162 0.060429 Tb\n0.105162 0.894838 0.560429 Tb\n0.105162 0.894838 0.939571 Tb\n0.894838 0.105162 0.439571 Tb\n0.242413 0.757587 0.250000 Tb\n0.757587 0.242413 0.750000 Tb\n0.053141 0.946858 0.250000 Re\n0.946859 0.053141 0.750000 Re\n0.458919 0.541081 0.250000 B\n0.541081 0.458919 0.750000 B\n0.726920 0.273080 0.033039 B\n0.273080 0.726920 0.533039 B\n0.273080 0.726920 0.966961 B\n0.726920 0.273080 0.466961 B\n0.632010 0.367990 0.349097 B\n0.367990 0.632010 0.849097 B\n0.367990 0.632010 0.650903 B\n0.632010 0.367990 0.150903 B\n0.521420 0.478580 0.404163 B\n0.478580 0.521420 0.904163 B\n0.478580 0.521420 0.595837 B\n0.521420 0.478580 0.095837 B\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Tb",
                "Re",
                "B"
            ],
            "chemical_system": "B-Re-Tb",
            "density": 9.2727691477289,
            "density_atomic": 0.08315884034624194,
            "volume": 264.553953715568,
            "volume_molar": 7.241732490407617,
            "formula_full": "Tb6 Re2 B14",
            "formula_reduced": "Tb3ReB7",
            "formula_anonymous": "AB3C7",
            "energy": -159.16948094,
            "energy_per_atom": -7.234976406363637,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -159.16948094,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0035352,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:59.574000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-756469",
            "created_at": "2022-09-04T14:40:26.945729Z",
            "structure_string": "Dy4 Lu4 O12\n1.0\n5.612510 0.000000 0.000000\n0.000000 5.876143 0.000000\n0.000000 0.000000 8.233750\nDy Lu O\n4 4 12\ndirect\n0.986952 0.053138 0.250000 Dy\n0.486952 0.446862 0.750000 Dy\n0.513048 0.553138 0.250000 Dy\n0.013048 0.946862 0.750000 Dy\n0.500000 0.000000 0.000000 Lu\n0.500000 0.000000 0.500000 Lu\n0.000000 0.500000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.639294 0.071400 0.750000 O\n0.179952 0.183686 0.572288 O\n0.179952 0.183686 0.927712 O\n0.679952 0.316314 0.427712 O\n0.679952 0.316314 0.072288 O\n0.139294 0.428600 0.250000 O\n0.860706 0.571400 0.750000 O\n0.320048 0.683686 0.572288 O\n0.320048 0.683686 0.927712 O\n0.820048 0.816314 0.072288 O\n0.820048 0.816314 0.427712 O\n0.360706 0.928600 0.250000 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Dy",
                "Lu",
                "O"
            ],
            "chemical_system": "Dy-Lu-O",
            "density": 9.428597670172417,
            "density_atomic": 0.07365171013986271,
            "volume": 271.54834506925243,
            "volume_molar": 8.17651178576045,
            "formula_full": "Dy4 Lu4 O12",
            "formula_reduced": "DyLuO3",
            "formula_anonymous": "ABC3",
            "energy": -175.71782684,
            "energy_per_atom": -8.785891342,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -167.47382684,
            "band_gap": 4.634,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 2.31e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:58.987000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1203791",
            "created_at": "2022-09-04T14:40:26.975487Z",
            "structure_string": "B8 P4 H80 C20 N4\n1.0\n7.157682 0.000000 0.000000\n0.000000 10.904374 0.000000\n0.000000 0.000000 16.074028\nB P H C N\n8 4 80 20 4\ndirect\n0.227614 0.781633 0.028130 B\n0.772386 0.281633 0.971870 B\n0.227614 0.281633 0.471870 B\n0.772386 0.781633 0.528130 B\n0.423974 0.920708 0.132175 B\n0.576026 0.420708 0.867825 B\n0.423974 0.420708 0.367825 B\n0.576026 0.920708 0.632175 B\n0.338691 0.855541 0.929441 P\n0.661309 0.355541 0.070559 P\n0.338691 0.355541 0.570559 P\n0.661309 0.855541 0.429441 P\n0.639724 0.956322 0.938017 H\n0.360276 0.456322 0.061983 H\n0.639724 0.456322 0.561983 H\n0.360276 0.956322 0.438017 H\n0.654716 0.798893 0.967668 H\n0.345284 0.298893 0.032332 H\n0.654716 0.298893 0.532332 H\n0.345284 0.798893 0.467668 H\n0.635957 0.839435 0.859681 H\n0.364043 0.339435 0.140319 H\n0.635957 0.339435 0.640319 H\n0.364043 0.839435 0.359681 H\n0.331547 0.662531 0.855030 H\n0.668453 0.162531 0.144970 H\n0.331547 0.162531 0.644970 H\n0.668453 0.662531 0.355030 H\n0.122496 0.749783 0.838334 H\n0.877504 0.249783 0.161666 H\n0.122496 0.249783 0.661666 H\n0.877504 0.749783 0.338334 H\n0.335501 0.792415 0.786542 H\n0.664499 0.292415 0.213458 H\n0.335501 0.292415 0.713458 H\n0.664499 0.792415 0.286542 H\n0.310669 0.024979 0.833134 H\n0.689331 0.524979 0.166866 H\n0.310669 0.524979 0.666866 H\n0.689331 0.024979 0.333134 H\n0.105063 0.008947 0.896167 H\n0.894937 0.508947 0.103833 H\n0.105063 0.508947 0.603833 H\n0.894937 0.008947 0.396167 H\n0.312234 0.076261 0.938746 H\n0.687766 0.576261 0.061254 H\n0.312234 0.576261 0.561254 H\n0.687766 0.076261 0.438746 H\n0.320552 0.688604 0.034845 H\n0.679448 0.188604 0.965155 H\n0.320552 0.188604 0.465155 H\n0.679448 0.688604 0.534845 H\n0.067464 0.759369 0.006537 H\n0.932536 0.259369 0.993463 H\n0.067464 0.259369 0.493463 H\n0.932536 0.759369 0.506537 H\n0.447807 0.999851 0.078905 H\n0.552193 0.499851 0.921095 H\n0.447807 0.499851 0.421095 H\n0.552193 0.999851 0.578905 H\n0.545164 0.841405 0.130383 H\n0.454836 0.341405 0.869617 H\n0.545164 0.341405 0.369617 H\n0.454836 0.841405 0.630383 H\n0.410540 0.967411 0.201653 H\n0.589460 0.467411 0.798347 H\n0.410540 0.467411 0.298347 H\n0.589460 0.967411 0.701653 H\n0.079491 0.996940 0.173676 H\n0.920509 0.496940 0.826324 H\n0.079491 0.496940 0.326324 H\n0.920509 0.996940 0.673676 H\n0.093749 0.014154 0.063640 H\n0.906251 0.514154 0.936360 H\n0.093749 0.514154 0.436360 H\n0.906251 0.014154 0.563640 H\n0.938220 0.902530 0.107040 H\n0.061780 0.402530 0.892960 H\n0.938220 0.402530 0.392960 H\n0.061780 0.902530 0.607040 H\n0.055122 0.716695 0.166406 H\n0.944878 0.216695 0.833594 H\n0.055122 0.216695 0.333594 H\n0.944878 0.716695 0.666406 H\n0.301276 0.699184 0.183653 H\n0.698724 0.199184 0.816347 H\n0.301276 0.199184 0.316347 H\n0.698724 0.699184 0.683653 H\n0.174456 0.815366 0.238462 H\n0.825544 0.315366 0.761538 H\n0.174456 0.315366 0.261538 H\n0.825544 0.815366 0.738462 H\n0.592592 0.863143 0.923112 C\n0.407408 0.363143 0.076888 C\n0.592592 0.363143 0.576888 C\n0.407408 0.863143 0.423112 C\n0.275218 0.754895 0.843932 C\n0.724781 0.254895 0.156068 C\n0.275218 0.254895 0.656068 C\n0.724781 0.754895 0.343932 C\n0.258497 0.006069 0.896057 C\n0.741503 0.506069 0.103943 C\n0.258497 0.506069 0.603943 C\n0.741503 0.006069 0.396057 C\n0.074560 0.947824 0.113880 C\n0.925440 0.447824 0.886120 C\n0.074560 0.447824 0.386120 C\n0.925440 0.947824 0.613880 C\n0.186749 0.765101 0.179507 C\n0.813251 0.265101 0.820493 C\n0.186749 0.265101 0.320493 C\n0.813251 0.765101 0.679507 C\n0.227238 0.855259 0.112357 N\n0.772762 0.355259 0.887643 N\n0.227238 0.355259 0.387643 N\n0.772762 0.855259 0.612357 N\n",
            "nsites": 116,
            "nelements": 5,
            "elements": [
                "B",
                "P",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "B-C-H-N-P",
            "density": 0.777286196614316,
            "density_atomic": 0.09246132876242251,
            "volume": 1254.578552489329,
            "volume_molar": 6.51314537721361,
            "formula_full": "B8 P4 H80 C20 N4",
            "formula_reduced": "B2PH20C5N",
            "formula_anonymous": "ABC2D5E20",
            "energy": -587.84983882,
            "energy_per_atom": -5.067671024310345,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -586.40583882,
            "band_gap": 5.0846,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 8.94e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:01.490000Z",
            "spacegroup": 29
        },
        {
            "id": "mp-1008676",
            "created_at": "2022-09-04T14:39:24.826805Z",
            "structure_string": "Ti1 S2\n1.0\n2.156773 -3.735641 0.000000\n2.156773 3.735641 0.000000\n0.000000 0.000000 2.931109\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.500000 S\n0.333333 0.666667 0.500000 S\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Ti",
                "S"
            ],
            "chemical_system": "S-Ti",
            "density": 3.9375306834200887,
            "density_atomic": 0.06351696214336794,
            "volume": 47.231477998404905,
            "volume_molar": 9.48115362697458,
            "formula_full": "Ti1 S2",
            "formula_reduced": "TiS2",
            "formula_anonymous": "AB2",
            "energy": -17.14212463,
            "energy_per_atom": -5.714041543333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -16.13612463,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 8.14e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:35.581000Z",
            "spacegroup": 191
        },
        {
            "id": "mp-1104675",
            "created_at": "2022-09-04T14:39:24.877566Z",
            "structure_string": "Tm6 Pd8\n1.0\n4.226239 -6.543083 0.000000\n4.226239 6.543083 0.000000\n-5.903793 0.000000 5.081167\nTm Pd\n6 8\ndirect\n0.403586 0.025209 0.278901 Tm\n0.025209 0.278901 0.403586 Tm\n0.278901 0.403586 0.025209 Tm\n0.596414 0.974791 0.721099 Tm\n0.974791 0.721099 0.596414 Tm\n0.721099 0.596414 0.974791 Tm\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.226564 0.062413 0.551362 Pd\n0.062413 0.551362 0.226564 Pd\n0.551362 0.226564 0.062413 Pd\n0.773436 0.937587 0.448638 Pd\n0.937587 0.448638 0.773436 Pd\n0.448638 0.773436 0.937587 Pd\n",
            "nsites": 14,
            "nelements": 2,
            "elements": [
                "Tm",
                "Pd"
            ],
            "chemical_system": "Pd-Tm",
            "density": 11.020210658663524,
            "density_atomic": 0.04981935360016403,
            "volume": 281.01528800152687,
            "volume_molar": 12.087954428979529,
            "formula_full": "Tm6 Pd8",
            "formula_reduced": "Tm3Pd4",
            "formula_anonymous": "A3B4",
            "energy": -82.0342349,
            "energy_per_atom": -5.859588207142857,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -82.0342349,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000673,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:38.005000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-1220975",
            "created_at": "2022-09-04T14:39:26.931158Z",
            "structure_string": "Ni24 W48 C8\n1.0\n3.994580 6.914122 0.000000\n-3.994580 6.914122 0.000000\n0.000000 0.022220 19.539510\nNi W C\n24 48 8\ndirect\n0.499734 0.499734 0.706665 Ni\n0.833381 0.833381 0.375091 Ni\n0.166435 0.166435 0.040702 Ni\n0.278513 0.278513 0.930353 Ni\n0.610576 0.610576 0.596959 Ni\n0.944742 0.944742 0.264027 Ni\n0.278365 0.942874 0.930252 Ni\n0.612207 0.278362 0.597115 Ni\n0.943816 0.611284 0.263977 Ni\n0.942874 0.278365 0.930252 Ni\n0.278362 0.612207 0.597115 Ni\n0.611284 0.943816 0.263977 Ni\n0.833565 0.833565 0.959298 Ni\n0.166619 0.166619 0.624909 Ni\n0.500266 0.500266 0.293335 Ni\n0.055258 0.055258 0.735973 Ni\n0.389424 0.389424 0.403041 Ni\n0.721487 0.721487 0.069647 Ni\n0.056184 0.388716 0.736023 Ni\n0.387793 0.721638 0.402885 Ni\n0.721635 0.057126 0.069748 Ni\n0.388716 0.056184 0.736023 Ni\n0.721638 0.387793 0.402885 Ni\n0.057126 0.721635 0.069748 Ni\n0.713804 0.713804 0.727929 W\n0.046180 0.046180 0.397863 W\n0.378864 0.378864 0.060952 W\n0.959870 0.959870 0.855791 W\n0.294511 0.294511 0.521671 W\n0.625200 0.625200 0.189845 W\n0.714834 0.071281 0.726907 W\n0.046651 0.407725 0.394650 W\n0.379540 0.741597 0.061146 W\n0.960726 0.580437 0.855783 W\n0.280638 0.922388 0.519753 W\n0.625514 0.249809 0.189522 W\n0.580437 0.960726 0.855783 W\n0.922388 0.280638 0.519753 W\n0.249809 0.625514 0.189522 W\n0.071281 0.714834 0.726907 W\n0.407725 0.046651 0.394650 W\n0.741597 0.379540 0.061146 W\n0.621136 0.621136 0.939048 W\n0.953820 0.953820 0.602137 W\n0.286196 0.286196 0.272071 W\n0.374800 0.374800 0.810155 W\n0.705489 0.705489 0.478329 W\n0.040130 0.040130 0.144209 W\n0.620460 0.258403 0.938854 W\n0.953349 0.592275 0.605350 W\n0.285166 0.928719 0.273093 W\n0.374486 0.750191 0.810478 W\n0.719362 0.077612 0.480247 W\n0.039274 0.419563 0.144217 W\n0.750191 0.374486 0.810478 W\n0.077612 0.719362 0.480247 W\n0.419563 0.039274 0.144217 W\n0.258403 0.620460 0.938854 W\n0.592275 0.953349 0.605350 W\n0.928719 0.285166 0.273093 W\n0.166412 0.166412 0.833329 W\n0.500000 0.500000 0.500000 W\n0.833588 0.833588 0.166671 W\n0.333389 0.333389 0.666056 W\n0.666611 0.666611 0.333944 W\n0.000000 0.000000 0.000000 W\n0.333760 0.833627 0.666295 W\n0.666240 0.166373 0.333705 W\n0.000000 0.500000 0.000000 W\n0.500000 0.000000 0.000000 W\n0.833627 0.333760 0.666295 W\n0.166373 0.666240 0.333705 W\n0.332921 0.332921 0.166324 C\n0.667079 0.667079 0.833676 C\n0.000000 0.500000 0.500000 C\n0.332540 0.834574 0.167144 C\n0.667460 0.165426 0.832856 C\n0.500000 0.000000 0.500000 C\n0.834574 0.332540 0.167144 C\n0.165426 0.667460 0.832856 C\n",
            "nsites": 80,
            "nelements": 3,
            "elements": [
                "Ni",
                "W",
                "C"
            ],
            "chemical_system": "C-Ni-W",
            "density": 15.891230737707323,
            "density_atomic": 0.07412046941575309,
            "volume": 1079.3239793351513,
            "volume_molar": 8.124801161499516,
            "formula_full": "Ni24 W48 C8",
            "formula_reduced": "Ni3W6C",
            "formula_anonymous": "AB3C6",
            "energy": -836.9953305399999,
            "energy_per_atom": -10.46244163175,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -836.9953305399999,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0031603,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:30.308000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1195558",
            "created_at": "2022-09-04T14:39:27.711558Z",
            "structure_string": "Zn2 H60 N32\n1.0\n-9.114314 0.000000 1.877525\n-0.006767 0.000000 -9.694682\n0.000000 -10.505255 0.000000\nZn H N\n2 60 32\ndirect\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.268111 0.592463 0.116000 H\n0.768111 0.092463 0.384000 H\n0.731889 0.407537 0.884000 H\n0.231889 0.907537 0.616000 H\n0.272961 0.633970 0.964270 H\n0.772961 0.133970 0.535730 H\n0.727039 0.366030 0.035730 H\n0.227039 0.866030 0.464270 H\n0.199700 0.470046 0.009353 H\n0.699700 0.970046 0.490647 H\n0.800300 0.529954 0.990647 H\n0.300300 0.029954 0.509353 H\n0.507617 0.443695 0.742310 H\n0.007617 0.943695 0.757690 H\n0.492383 0.556305 0.257690 H\n0.992383 0.056305 0.242310 H\n0.338323 0.460822 0.772727 H\n0.838323 0.960822 0.727273 H\n0.661677 0.539178 0.227273 H\n0.161677 0.039178 0.272727 H\n0.390217 0.310871 0.806519 H\n0.890217 0.810871 0.693481 H\n0.609783 0.689129 0.193481 H\n0.109783 0.189129 0.306519 H\n0.352780 0.312386 0.168257 H\n0.852780 0.812386 0.331743 H\n0.647220 0.687614 0.831743 H\n0.147220 0.187614 0.668257 H\n0.346672 0.228740 0.030085 H\n0.846672 0.728740 0.469915 H\n0.653328 0.771260 0.969915 H\n0.153328 0.271260 0.530085 H\n0.493633 0.244712 0.120764 H\n0.993633 0.744712 0.379236 H\n0.506367 0.755288 0.879236 H\n0.006367 0.255288 0.620764 H\n0.957803 0.253457 0.031852 H\n0.457803 0.753457 0.468148 H\n0.042197 0.746543 0.968148 H\n0.542197 0.246543 0.531852 H\n0.986407 0.314821 0.887604 H\n0.486407 0.814821 0.612396 H\n0.013593 0.685179 0.112396 H\n0.513593 0.185179 0.387604 H\n0.086050 0.207342 0.942854 H\n0.586050 0.707342 0.557146 H\n0.913950 0.792658 0.057146 H\n0.413950 0.292658 0.442854 H\n0.068152 0.523665 0.716087 H\n0.568152 0.023665 0.783913 H\n0.931848 0.476335 0.283913 H\n0.431848 0.976335 0.216087 H\n0.196640 0.665818 0.737458 H\n0.696640 0.165818 0.762542 H\n0.803360 0.334182 0.262542 H\n0.303360 0.834182 0.237458 H\n0.185152 0.578512 0.602671 H\n0.685152 0.078512 0.897329 H\n0.814848 0.421488 0.397329 H\n0.314848 0.921488 0.102671 H\n0.251586 0.409024 0.355164 N\n0.751586 0.909024 0.144836 N\n0.748414 0.590976 0.644836 N\n0.248414 0.090976 0.855164 N\n0.225234 0.523677 0.348979 N\n0.725234 0.023677 0.151021 N\n0.774766 0.476323 0.651021 N\n0.274766 0.976323 0.848979 N\n0.199402 0.638957 0.341386 N\n0.699402 0.138957 0.158614 N\n0.800598 0.361043 0.658614 N\n0.300598 0.861043 0.841386 N\n0.284151 0.555746 0.026777 N\n0.784151 0.055746 0.473223 N\n0.715849 0.444254 0.973223 N\n0.215849 0.944254 0.526777 N\n0.424340 0.418190 0.806849 N\n0.924340 0.918190 0.693151 N\n0.575660 0.581810 0.193151 N\n0.075660 0.081810 0.306849 N\n0.413609 0.295838 0.090524 N\n0.913609 0.795838 0.409476 N\n0.586391 0.704162 0.909476 N\n0.086391 0.204162 0.590524 N\n0.038857 0.290470 0.967486 N\n0.538857 0.790470 0.532514 N\n0.961143 0.709530 0.032514 N\n0.461143 0.209530 0.467486 N\n0.176261 0.566287 0.699261 N\n0.676261 0.066287 0.800739 N\n0.823739 0.433713 0.300739 N\n0.323739 0.933713 0.199261 N\n",
            "nsites": 94,
            "nelements": 3,
            "elements": [
                "Zn",
                "H",
                "N"
            ],
            "chemical_system": "H-N-Zn",
            "density": 1.143849869479641,
            "density_atomic": 0.10125145157053111,
            "volume": 928.3817519842686,
            "volume_molar": 5.94770807389859,
            "formula_full": "Zn2 H60 N32",
            "formula_reduced": "Zn(H15N8)2",
            "formula_anonymous": "AB16C30",
            "energy": -508.05243455,
            "energy_per_atom": -5.404813133510638,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -496.50043455,
            "band_gap": 3.6138,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0017939,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:33.614000Z",
            "spacegroup": 14
        }
    ]
}