GET /third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10180
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10181",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10179",
    "results": [
        {
            "id": "mp-775210",
            "created_at": "2022-09-04T14:47:23.285906Z",
            "structure_string": "Sb3 P6 W1 O24\n1.0\n8.036788 -4.419802 0.000000\n8.036788 4.419802 0.000000\n5.606135 0.000000 7.259192\nSb P W O\n3 6 1 24\ndirect\n0.140397 0.140397 0.140397 Sb\n0.358124 0.358124 0.358124 Sb\n0.644735 0.644735 0.644735 Sb\n0.478090 0.726651 0.042223 P\n0.726651 0.042223 0.478090 P\n0.042223 0.478090 0.726651 P\n0.953666 0.545550 0.254828 P\n0.254828 0.953666 0.545550 P\n0.545550 0.254828 0.953666 P\n0.855151 0.855151 0.855151 W\n0.540802 0.260740 0.119904 O\n0.119904 0.540802 0.260740 O\n0.298375 0.884201 0.071334 O\n0.260740 0.119904 0.540802 O\n0.490600 0.547988 0.211866 O\n0.642222 0.778300 0.991507 O\n0.884201 0.071334 0.298375 O\n0.547988 0.211866 0.490600 O\n0.211866 0.490600 0.547988 O\n0.967863 0.373524 0.255793 O\n0.927917 0.709763 0.066532 O\n0.255793 0.967863 0.373524 O\n0.778300 0.991507 0.642222 O\n0.071334 0.298375 0.884201 O\n0.991507 0.642222 0.778300 O\n0.766198 0.613779 0.403444 O\n0.403444 0.766198 0.613779 O\n0.066532 0.927917 0.709763 O\n0.373524 0.255793 0.967863 O\n0.613779 0.403444 0.766198 O\n0.683919 0.882187 0.511830 O\n0.709763 0.066532 0.927917 O\n0.882187 0.511830 0.683919 O\n0.511830 0.683919 0.882187 O\n",
            "nsites": 34,
            "nelements": 4,
            "elements": [
                "Sb",
                "P",
                "W",
                "O"
            ],
            "chemical_system": "O-P-Sb-W",
            "density": 3.602927002745775,
            "density_atomic": 0.0659288213435944,
            "volume": 515.7076875803031,
            "volume_molar": 9.134306722419673,
            "formula_full": "Sb3 P6 W1 O24",
            "formula_reduced": "Sb3P6WO24",
            "formula_anonymous": "AB3C6D24",
            "energy": -256.27932666,
            "energy_per_atom": -7.537627254705882,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -235.35332666,
            "band_gap": 0.1913999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0064382,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:02.540000Z",
            "spacegroup": 146
        },
        {
            "id": "mp-1104602",
            "created_at": "2022-09-04T14:47:23.321676Z",
            "structure_string": "Cu2 Ag1 S2 O10\n1.0\n3.025473 4.487083 0.000000\n-3.025473 4.487083 0.000000\n0.000000 4.351951 7.075589\nCu Ag S O\n2 1 2 10\ndirect\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Ag\n0.080577 0.080577 0.707504 S\n0.919423 0.919423 0.292496 S\n0.175539 0.175539 0.808470 O\n0.824461 0.824461 0.191530 O\n0.197148 0.197148 0.502946 O\n0.802852 0.802852 0.497054 O\n0.758542 0.171691 0.760425 O\n0.171691 0.758542 0.760425 O\n0.241458 0.828309 0.239575 O\n0.828309 0.241458 0.239575 O\n0.666436 0.666436 0.958147 O\n0.333564 0.333564 0.041853 O\n",
            "nsites": 15,
            "nelements": 4,
            "elements": [
                "Cu",
                "Ag",
                "S",
                "O"
            ],
            "chemical_system": "Ag-Cu-O-S",
            "density": 3.968180927225138,
            "density_atomic": 0.07808026538428692,
            "volume": 192.11000277950694,
            "volume_molar": 7.71275652094788,
            "formula_full": "Cu2 Ag1 S2 O10",
            "formula_reduced": "Cu2Ag(SO5)2",
            "formula_anonymous": "AB2C2D10",
            "energy": -87.18069373,
            "energy_per_atom": -5.812046248666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.31069373,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.0008905,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:01.090000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1079744",
            "created_at": "2022-09-04T14:47:23.339256Z",
            "structure_string": "Sm3 Cd3 Pd3\n1.0\n3.868901 -6.701133 0.000000\n3.868901 6.701133 0.000000\n0.000000 0.000000 3.966143\nSm Cd Pd\n3 3 3\ndirect\n0.405604 0.405604 0.500000 Sm\n0.594396 0.000000 0.500000 Sm\n0.000000 0.594396 0.500000 Sm\n0.745266 0.745266 0.000000 Cd\n0.254734 0.000000 0.000000 Cd\n0.000000 0.254734 0.000000 Cd\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Sm",
                "Cd",
                "Pd"
            ],
            "chemical_system": "Cd-Pd-Sm",
            "density": 8.943082532848038,
            "density_atomic": 0.04376312141389135,
            "volume": 205.6526067892225,
            "volume_molar": 13.760766063840327,
            "formula_full": "Sm3 Cd3 Pd3",
            "formula_reduced": "SmCdPd",
            "formula_anonymous": "ABC",
            "energy": -38.55487509999999,
            "energy_per_atom": -4.28387501111111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -38.55487509999999,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1042005,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:00.327000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-1191228",
            "created_at": "2022-09-04T14:47:23.344736Z",
            "structure_string": "Cs2 Gd4 Ag6 Se10\n1.0\n2.181365 -7.834970 0.000000\n2.181365 7.834970 0.000000\n0.000000 0.000000 17.748083\nCs Gd Ag Se\n2 4 6 10\ndirect\n0.561961 0.438039 0.250000 Cs\n0.438039 0.561961 0.750000 Cs\n0.692479 0.307521 0.905037 Gd\n0.307521 0.692479 0.094963 Gd\n0.692479 0.307521 0.594963 Gd\n0.307521 0.692479 0.405037 Gd\n0.843896 0.156104 0.250000 Ag\n0.156104 0.843896 0.750000 Ag\n0.916834 0.083166 0.959222 Ag\n0.083166 0.916834 0.040778 Ag\n0.916834 0.083166 0.540778 Ag\n0.083166 0.916834 0.459222 Ag\n0.931948 0.068052 0.383663 Se\n0.068052 0.931948 0.616337 Se\n0.931948 0.068052 0.116337 Se\n0.068052 0.931948 0.883663 Se\n0.247944 0.752056 0.250000 Se\n0.752056 0.247944 0.750000 Se\n0.680686 0.319314 0.430023 Se\n0.319314 0.680686 0.569977 Se\n0.680686 0.319314 0.069977 Se\n0.319314 0.680686 0.930023 Se\n",
            "nsites": 22,
            "nelements": 4,
            "elements": [
                "Cs",
                "Gd",
                "Ag",
                "Se"
            ],
            "chemical_system": "Ag-Cs-Gd-Se",
            "density": 6.382043551213554,
            "density_atomic": 0.03626398743753542,
            "volume": 606.6624647357082,
            "volume_molar": 16.60639434748623,
            "formula_full": "Cs2 Gd4 Ag6 Se10",
            "formula_reduced": "CsGd2Ag3Se5",
            "formula_anonymous": "AB2C3D5",
            "energy": -139.83170562,
            "energy_per_atom": -6.35598661909091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -135.11170562,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 14.0000001,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:01.989000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1521090",
            "created_at": "2022-09-04T14:47:23.354203Z",
            "structure_string": "Ba2 Ca2 Ce2 Sn2 O12\n1.0\n5.958211 -0.009915 -0.014107\n-0.011691 6.010881 -0.009285\n-0.020897 -0.014040 8.480567\nBa Ca Ce Sn O\n2 2 2 2 12\ndirect\n0.505865 0.530106 0.249992 Ba\n0.494135 0.469894 0.750008 Ba\n0.992961 0.037262 0.253246 Ca\n0.007039 0.962739 0.746754 Ca\n-0.000000 0.500000 -0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.500000 0.000000 -0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.215227 0.197576 0.940846 O\n0.278641 0.707684 0.530303 O\n0.784773 0.802424 0.059154 O\n0.721359 0.292316 0.469697 O\n0.295027 0.721828 0.966445 O\n0.193717 0.211316 0.554341 O\n0.704973 0.278172 0.033555 O\n0.806283 0.788684 0.445659 O\n0.394872 0.000519 0.240815 O\n0.062386 0.442224 0.258813 O\n0.605128 0.999481 0.759185 O\n0.937614 0.557776 0.741187 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "Ba",
                "Ca",
                "Ce",
                "Sn",
                "O"
            ],
            "chemical_system": "Ba-Ca-Ce-O-Sn",
            "density": 5.819725216877402,
            "density_atomic": 0.06585005667252158,
            "volume": 303.72031567811473,
            "volume_molar": 9.145232463426208,
            "formula_full": "Ba2 Ca2 Ce2 Sn2 O12",
            "formula_reduced": "BaCaCeSnO6",
            "formula_anonymous": "ABCDE6",
            "energy": -148.90435834,
            "energy_per_atom": -7.445217916999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -140.66035834,
            "band_gap": 2.1723000000000003,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:04.069000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1105564",
            "created_at": "2022-09-04T14:47:23.356687Z",
            "structure_string": "Ni8 Bi8 S1 I1\n1.0\n9.849049 0.000000 0.000000\n0.000000 9.849049 0.000000\n0.000000 0.000000 4.210371\nNi Bi S I\n8 8 1 1\ndirect\n0.088034 0.820347 0.501404 Ni\n0.911966 0.179653 0.501404 Ni\n0.820347 0.911966 0.501404 Ni\n0.179653 0.088034 0.501404 Ni\n0.189577 0.938002 0.001301 Ni\n0.810423 0.061998 0.001301 Ni\n0.938002 0.810423 0.001301 Ni\n0.061998 0.189577 0.001301 Ni\n0.356552 0.878047 0.502543 Bi\n0.643448 0.121953 0.502543 Bi\n0.878047 0.643448 0.502543 Bi\n0.121953 0.356552 0.502543 Bi\n0.171285 0.663306 0.000220 Bi\n0.828715 0.336694 0.000220 Bi\n0.663306 0.828715 0.000220 Bi\n0.336694 0.171285 0.000220 Bi\n0.000000 0.000000 0.252253 S\n0.500000 0.500000 0.515275 I\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Ni",
                "Bi",
                "S",
                "I"
            ],
            "chemical_system": "Bi-I-Ni-S",
            "density": 9.35267661705245,
            "density_atomic": 0.04407207954040956,
            "volume": 408.42184411779016,
            "volume_molar": 13.66429908186728,
            "formula_full": "Ni8 Bi8 S1 I1",
            "formula_reduced": "Ni8Bi8SI",
            "formula_anonymous": "ABC8D8",
            "energy": -86.49059419000001,
            "energy_per_atom": -4.805033010555556,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -85.60859419,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0070547,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:05.846000Z",
            "spacegroup": 75
        },
        {
            "id": "mp-1234707",
            "created_at": "2022-09-04T14:47:23.131596Z",
            "structure_string": "Mg1 Fe3 Co5 O16\n1.0\n5.869439 0.048191 -0.065593\n-2.892350 4.934445 0.042002\n-0.107512 0.013650 8.907266\nMg Fe Co O\n1 3 5 16\ndirect\n0.174956 0.344609 0.950851 Mg\n0.672972 0.835893 0.208571 Fe\n0.837133 0.673670 0.703080 Fe\n0.820784 0.165033 0.693608 Fe\n0.161383 0.821676 0.210209 Co\n0.337673 0.678707 0.484563 Co\n0.179741 0.335412 0.237296 Co\n0.340063 0.170947 0.700114 Co\n0.668076 0.327681 0.985982 Co\n0.185023 0.844218 0.601865 O\n0.045014 0.521462 0.345542 O\n0.312913 0.640447 0.109210 O\n0.015427 0.997698 0.318598 O\n0.015044 0.025765 0.807603 O\n0.187427 0.358712 0.601750 O\n0.457397 0.949405 0.339817 O\n0.466037 0.512536 0.355776 O\n0.325788 0.164370 0.104518 O\n0.659933 0.838300 0.590754 O\n0.511270 0.467343 0.842681 O\n0.507211 0.045420 0.843061 O\n0.652006 0.324870 0.591353 O\n0.833974 0.649665 0.102721 O\n0.947226 0.464083 0.844020 O\n0.852193 0.175609 0.095301 O\n",
            "nsites": 25,
            "nelements": 4,
            "elements": [
                "Mg",
                "Fe",
                "Co",
                "O"
            ],
            "chemical_system": "Co-Fe-Mg-O",
            "density": 4.757063987634378,
            "density_atomic": 0.09645740340402725,
            "volume": 259.1817643616582,
            "volume_molar": 6.243316269644229,
            "formula_full": "Mg1 Fe3 Co5 O16",
            "formula_reduced": "MgFe3Co5O16",
            "formula_anonymous": "AB3C5D16",
            "energy": -173.78866513999998,
            "energy_per_atom": -6.951546605599999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -147.83866514,
            "band_gap": 0.1286999999999998,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.0,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:06.880000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1215322",
            "created_at": "2022-09-04T14:47:23.133833Z",
            "structure_string": "Zr4 Co4 Re4\n1.0\n-2.546205 -4.427384 0.000000\n-2.561312 4.436114 0.000000\n0.000000 0.000000 -8.398639\nZr Co Re\n4 4 4\ndirect\n0.660696 0.330353 0.571577 Zr\n0.329232 0.664589 0.442580 Zr\n0.329232 0.664589 0.057420 Zr\n0.660696 0.330353 0.928423 Zr\n0.001662 0.000820 0.511539 Co\n0.001662 0.000820 0.988461 Co\n0.176315 0.340758 0.750000 Co\n0.176378 0.835629 0.750000 Co\n0.664464 0.832209 0.750000 Re\n0.831456 0.664491 0.250000 Re\n0.831412 0.166972 0.250000 Re\n0.336796 0.168414 0.250000 Re\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Zr",
                "Co",
                "Re"
            ],
            "chemical_system": "Co-Re-Zr",
            "density": 11.752390776828673,
            "density_atomic": 0.06312314384327931,
            "volume": 190.10459982464312,
            "volume_molar": 9.540305493895602,
            "formula_full": "Zr4 Co4 Re4",
            "formula_reduced": "ZrCoRe",
            "formula_anonymous": "ABC",
            "energy": -116.07769807,
            "energy_per_atom": -9.673141505833334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -116.07769807,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0055695,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:01.548000Z",
            "spacegroup": 38
        },
        {
            "id": "mp-1038123",
            "created_at": "2022-09-04T14:47:23.133531Z",
            "structure_string": "Ca1 Mg30 Ni1 O32\n1.0\n8.559313 0.000000 0.000000\n0.000000 8.559313 0.000000\n0.000000 0.000000 8.553359\nCa Mg Ni O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.252495 0.000000 0.253396 Mg\n0.252495 0.000000 0.746604 Mg\n0.747505 0.000000 0.253396 Mg\n0.747505 0.000000 0.746604 Mg\n0.250028 0.500000 0.250332 Mg\n0.250028 0.500000 0.749668 Mg\n0.749972 0.500000 0.250332 Mg\n0.749972 0.500000 0.749668 Mg\n0.000000 0.252495 0.253396 Mg\n0.000000 0.252495 0.746604 Mg\n0.500000 0.250028 0.250332 Mg\n0.500000 0.250028 0.749668 Mg\n0.000000 0.747505 0.253396 Mg\n0.000000 0.747505 0.746604 Mg\n0.500000 0.749972 0.250332 Mg\n0.500000 0.749972 0.749668 Mg\n0.252766 0.252766 0.000000 Mg\n0.249465 0.249465 0.500000 Mg\n0.747234 0.252766 0.000000 Mg\n0.750535 0.249465 0.500000 Mg\n0.252766 0.747234 0.000000 Mg\n0.249465 0.750535 0.500000 Mg\n0.747234 0.747234 0.000000 Mg\n0.750535 0.750535 0.500000 Mg\n0.000000 0.000000 0.500000 Ni\n0.000000 0.262171 0.000000 O\n0.000000 0.253052 0.500000 O\n0.500000 0.252004 0.000000 O\n0.500000 0.250193 0.500000 O\n0.000000 0.737829 0.000000 O\n0.000000 0.746948 0.500000 O\n0.500000 0.747996 0.000000 O\n0.500000 0.749807 0.500000 O\n0.249491 0.249491 0.249994 O\n0.249491 0.249491 0.750006 O\n0.750509 0.249491 0.249994 O\n0.750509 0.249491 0.750006 O\n0.249491 0.750509 0.249994 O\n0.249491 0.750509 0.750006 O\n0.750509 0.750509 0.249994 O\n0.750509 0.750509 0.750006 O\n0.000000 0.000000 0.261638 O\n0.000000 0.000000 0.738362 O\n0.500000 0.000000 0.252198 O\n0.500000 0.000000 0.747802 O\n0.000000 0.500000 0.252198 O\n0.000000 0.500000 0.747802 O\n0.500000 0.500000 0.250400 O\n0.500000 0.500000 0.749600 O\n0.262171 0.000000 0.000000 O\n0.253052 0.000000 0.500000 O\n0.737829 0.000000 0.000000 O\n0.746948 0.000000 0.500000 O\n0.252004 0.500000 0.000000 O\n0.250193 0.500000 0.500000 O\n0.747996 0.500000 0.000000 O\n0.749807 0.500000 0.500000 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mg",
                "Ni",
                "O"
            ],
            "chemical_system": "Ca-Mg-Ni-O",
            "density": 3.550648499193408,
            "density_atomic": 0.1021328514696182,
            "volume": 626.6348102406432,
            "volume_molar": 5.896379738101629,
            "formula_full": "Ca1 Mg30 Ni1 O32",
            "formula_reduced": "CaMg30NiO32",
            "formula_anonymous": "ABC30D32",
            "energy": -405.54446623,
            "energy_per_atom": -6.33663228484375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -381.01946623,
            "band_gap": 4.0235,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0054016,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:07.160000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-1035954",
            "created_at": "2022-09-04T14:47:23.135303Z",
            "structure_string": "Ba1 Y1 Mg14 O16\n1.0\n4.573503 0.000000 0.000000\n0.000000 8.842314 0.000000\n0.000000 0.000000 9.063996\nBa Y Mg O\n1 1 14 16\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.249380 Mg\n0.500000 0.000000 0.750620 Mg\n0.500000 0.500000 0.250386 Mg\n0.500000 0.500000 0.749614 Mg\n0.500000 0.264856 0.000000 Mg\n0.500000 0.266821 0.500000 Mg\n0.500000 0.735144 0.000000 Mg\n0.500000 0.733179 0.500000 Mg\n0.000000 0.266565 0.249772 Mg\n0.000000 0.266565 0.750228 Mg\n0.000000 0.733435 0.249772 Mg\n0.000000 0.733435 0.750228 Mg\n0.000000 0.261910 0.000000 O\n0.000000 0.282020 0.500000 O\n0.000000 0.738090 0.000000 O\n0.000000 0.717980 0.500000 O\n0.500000 0.250823 0.250201 O\n0.500000 0.250823 0.749799 O\n0.500000 0.749177 0.250201 O\n0.500000 0.749177 0.749799 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.233066 O\n0.000000 0.000000 0.766934 O\n0.000000 0.500000 0.242710 O\n0.000000 0.500000 0.757290 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Ba",
                "Y",
                "Mg",
                "O"
            ],
            "chemical_system": "Ba-Mg-O-Y",
            "density": 3.7260341702599966,
            "density_atomic": 0.08730022674887057,
            "volume": 366.5511670668598,
            "volume_molar": 6.898196011934082,
            "formula_full": "Ba1 Y1 Mg14 O16",
            "formula_reduced": "BaYMg14O16",
            "formula_anonymous": "ABC14D16",
            "energy": -199.81131342,
            "energy_per_atom": -6.244103544375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -188.81931342,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009696,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:05.324000Z",
            "spacegroup": 47
        },
        {
            "id": "mp-1147615",
            "created_at": "2022-09-04T14:47:23.135871Z",
            "structure_string": "Nb1 Cu6 O8\n1.0\n0.000000 4.646852 4.646852\n4.646852 0.000000 4.646852\n4.646852 4.646852 0.000000\nNb Cu O\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.864573 0.864573 0.864573 O\n0.406282 0.864573 0.864573 O\n0.864573 0.864573 0.406282 O\n0.593718 0.135427 0.135427 O\n0.864573 0.406282 0.864573 O\n0.135427 0.593718 0.135427 O\n0.135427 0.135427 0.135427 O\n0.135427 0.135427 0.593718 O\n",
            "nsites": 15,
            "nelements": 3,
            "elements": [
                "Nb",
                "Cu",
                "O"
            ],
            "chemical_system": "Cu-Nb-O",
            "density": 4.982727789301379,
            "density_atomic": 0.07474544666617991,
            "volume": 200.68112064392884,
            "volume_molar": 8.056866375948543,
            "formula_full": "Nb1 Cu6 O8",
            "formula_reduced": "Nb(Cu3O4)2",
            "formula_anonymous": "AB6C8",
            "energy": -93.98844279,
            "energy_per_atom": -6.265896186,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -88.49244279,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011435,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:06.586000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1200289",
            "created_at": "2022-09-04T14:47:23.137286Z",
            "structure_string": "As8 C16 S8 O4\n1.0\n0.000000 4.600761 0.000000\n-0.004858 0.000000 12.048207\n16.570719 -2.300380 -1.956471\nAs C S O\n8 16 8 4\ndirect\n0.135609 0.009479 0.182927 As\n0.952681 0.490521 0.817073 As\n0.864391 0.990521 0.817073 As\n0.047319 0.509479 0.182927 As\n0.420067 0.039383 0.377784 As\n0.042283 0.460617 0.622216 As\n0.579933 0.960617 0.622216 As\n0.957717 0.539383 0.377784 As\n0.522067 0.878306 0.063510 C\n0.458557 0.621694 0.936490 C\n0.477933 0.121694 0.936490 C\n0.541443 0.378306 0.063510 C\n0.421320 0.927226 0.129513 C\n0.291806 0.572774 0.870487 C\n0.578680 0.072774 0.870487 C\n0.708194 0.427226 0.129513 C\n0.006244 0.238107 0.420157 C\n0.586087 0.261893 0.579843 C\n0.993756 0.761893 0.579843 C\n0.413913 0.738107 0.420157 C\n0.114866 0.145709 0.384107 C\n0.730760 0.354291 0.615893 C\n0.885134 0.854291 0.615893 C\n0.269240 0.645709 0.384107 C\n0.402546 0.371007 0.163996 S\n0.238550 0.128993 0.836004 S\n0.597454 0.628993 0.836004 S\n0.761450 0.871007 0.163996 S\n0.755583 0.161513 0.333683 S\n0.421900 0.338487 0.666317 S\n0.244417 0.838487 0.666317 S\n0.578100 0.661513 0.333683 S\n0.299973 0.963171 0.279359 O\n0.020614 0.536829 0.720641 O\n0.700027 0.036829 0.720641 O\n0.979386 0.463171 0.279359 O\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "As",
                "C",
                "S",
                "O"
            ],
            "chemical_system": "As-C-O-S",
            "density": 2.0105050643666513,
            "density_atomic": 0.03919491528326722,
            "volume": 918.4864858062043,
            "volume_molar": 15.36459695467418,
            "formula_full": "As8 C16 S8 O4",
            "formula_reduced": "As2C4S2O",
            "formula_anonymous": "AB2C2D4",
            "energy": -213.46718866,
            "energy_per_atom": -5.929644129444444,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -206.69518866,
            "band_gap": 1.9065,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001949,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:02.653000Z",
            "spacegroup": 15
        }
    ]
}