GET /third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=866
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 55712,
    "next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=867",
    "previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=865",
    "results": [
        {
            "id": "jvasp-50537",
            "created_at": "2022-09-04T14:37:01.383785Z",
            "updated_at": "2022-09-04T14:37:01.383809Z",
            "structure_string": "Ti8 O16\n1.0\n2.979340 0.000000 0.000000\n0.000000 8.926892 0.000000\n0.000000 0.000000 10.733583\nTi O\n8 16\ndirect\n0.750000 0.044876 0.879145 Ti\n0.750000 0.094807 0.401927 Ti\n0.250000 0.405193 0.901927 Ti\n0.250000 0.455123 0.379145 Ti\n0.750000 0.544876 0.620855 Ti\n0.750000 0.594807 0.098073 Ti\n0.250000 0.905193 0.598073 Ti\n0.250000 0.955123 0.120855 Ti\n0.750000 0.885719 0.485331 O\n0.750000 0.802130 0.141477 O\n0.250000 0.697870 0.641477 O\n0.250000 0.614280 0.985331 O\n0.750000 0.577587 0.428387 O\n0.250000 0.531037 0.213931 O\n0.750000 0.468963 0.786069 O\n0.250000 0.197870 0.858523 O\n0.750000 0.385719 0.014669 O\n0.750000 0.302130 0.358523 O\n0.250000 0.922413 0.928387 O\n0.250000 0.114280 0.514669 O\n0.750000 0.077587 0.071613 O\n0.250000 0.031038 0.286069 O\n0.250000 0.422413 0.571612 O\n0.750000 0.968962 0.713931 O\n",
            "nsites": 24,
            "nelements": 2,
            "elements": [
                "Ti",
                "O"
            ],
            "chemical_system": "O-Ti",
            "density": 3.716506218475243,
            "density_atomic": 0.08407099255554092,
            "volume": 285.473018343926,
            "volume_molar": 7.16316124853827,
            "formula_full": "Ti8 O16",
            "formula_reduced": "TiO2",
            "formula_anonymous": "AB2",
            "energy_above_hull": 1.5015051111111113,
            "spacegroup": 62
        },
        {
            "id": "jvasp-8252",
            "created_at": "2022-09-04T14:37:01.504693Z",
            "updated_at": "2022-09-04T14:37:01.504720Z",
            "structure_string": "Zn1 Cr1 F6\n1.0\n5.330498 0.060956 0.042027\n2.992543 4.411644 0.042026\n2.992543 1.608120 4.108323\nZn Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500001 Cr\n0.124906 0.403946 0.733697 F\n0.403945 0.733696 0.124907 F\n0.733696 0.124907 0.403946 F\n0.266302 0.875093 0.596055 F\n0.596053 0.266303 0.875094 F\n0.875093 0.596054 0.266304 F\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Zn",
                "Cr",
                "F"
            ],
            "chemical_system": "Cr-F-Zn",
            "density": 4.037938036971828,
            "density_atomic": 0.08407088030494889,
            "volume": 95.15779983487427,
            "volume_molar": 7.16317081271897,
            "formula_full": "Zn1 Cr1 F6",
            "formula_reduced": "ZnCrF6",
            "formula_anonymous": "ABC6",
            "energy_above_hull": 0.0243249368749999,
            "spacegroup": 148
        },
        {
            "id": "jvasp-65020",
            "created_at": "2022-09-04T14:35:44.269112Z",
            "updated_at": "2022-09-04T14:35:44.269130Z",
            "structure_string": "Be1 Cu1 Pt1\n1.0\n-1.398035 1.398035 4.564366\n1.398035 -1.398035 4.564366\n1.398035 1.398035 -4.564366\nBe Cu Pt\n1 1 1\ndirect\n0.003611 0.003611 0.000000 Be\n0.350785 0.350785 0.000000 Cu\n0.645605 0.645605 0.000000 Pt\n",
            "nsites": 3,
            "nelements": 3,
            "elements": [
                "Be",
                "Cu",
                "Pt"
            ],
            "chemical_system": "Be-Cu-Pt",
            "density": 12.454523545985268,
            "density_atomic": 0.08407070965955994,
            "volume": 35.684247369248425,
            "volume_molar": 7.1631853524091245,
            "formula_full": "Be1 Cu1 Pt1",
            "formula_reduced": "BeCuPt",
            "formula_anonymous": "ABC",
            "energy_above_hull": 1.0651559833333333,
            "spacegroup": 107
        },
        {
            "id": "jvasp-38011",
            "created_at": "2022-09-04T14:38:07.033158Z",
            "updated_at": "2022-09-04T14:38:07.033185Z",
            "structure_string": "Na3 Mn2 Sb1 O6\n1.0\n-5.538479 0.000000 0.008885\n-2.769240 -4.780776 0.004443\n-1.863066 0.000000 5.393879\nNa Mn Sb O\n3 2 1 6\ndirect\n0.500000 0.000000 0.500001 Na\n0.172551 0.654898 0.500000 Na\n0.827450 0.345103 0.500001 Na\n0.333777 0.332447 0.000000 Mn\n0.666223 0.667554 0.000000 Mn\n0.000000 0.000000 0.000000 Sb\n0.069322 0.309754 0.789632 O\n0.238987 0.000000 0.206810 O\n0.761014 0.000000 0.793191 O\n0.379075 0.690247 0.789632 O\n0.620925 0.309754 0.210369 O\n0.930679 0.690247 0.210369 O\n",
            "nsites": 12,
            "nelements": 4,
            "elements": [
                "Na",
                "Mn",
                "Sb",
                "O"
            ],
            "chemical_system": "Mn-Na-O-Sb",
            "density": 4.6137534165492005,
            "density_atomic": 0.08406821956122675,
            "volume": 142.7412173426656,
            "volume_molar": 7.163397525760711,
            "formula_full": "Na3 Mn2 Sb1 O6",
            "formula_reduced": "Na3Mn2SbO6",
            "formula_anonymous": "AB2C3D6",
            "energy_above_hull": 2.138713215229885,
            "spacegroup": 12
        },
        {
            "id": "jvasp-86731",
            "created_at": "2022-09-04T14:35:54.745652Z",
            "updated_at": "2022-09-04T14:35:54.745680Z",
            "structure_string": "Y2 Cr2 O8\n1.0\n4.664147 -0.000000 -1.893773\n-0.768924 4.600329 -1.893773\n-0.010930 -0.012908 6.663600\nY Cr O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Y\n0.625001 0.875000 0.250001 Y\n0.875001 0.625000 0.750001 Cr\n0.125000 0.375000 0.250000 Cr\n0.060708 0.196513 0.406991 O\n0.696513 0.846284 0.906992 O\n0.346285 0.710479 0.406992 O\n0.210480 0.560708 0.906991 O\n0.789522 0.439292 0.093010 O\n0.303489 0.153716 0.093009 O\n0.939293 0.803488 0.593010 O\n0.653717 0.289521 0.593010 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Y",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O-Y",
            "density": 4.766979174025036,
            "density_atomic": 0.084062906714694,
            "volume": 142.75023870787027,
            "volume_molar": 7.163850258519961,
            "formula_full": "Y2 Cr2 O8",
            "formula_reduced": "YCrO4",
            "formula_anonymous": "ABC4",
            "energy_above_hull": 2.734206141666667,
            "spacegroup": 88
        },
        {
            "id": "jvasp-4492",
            "created_at": "2022-09-04T14:35:44.787188Z",
            "updated_at": "2022-09-04T14:35:44.787213Z",
            "structure_string": "Lu2 Ta2 O8\n1.0\n0.000000 5.063810 0.112651\n5.404404 0.000000 0.000000\n0.000000 -0.426450 -5.225709\nLu Ta O\n2 2 8\ndirect\n0.000000 0.767290 0.250000 Lu\n0.000000 0.232709 0.750000 Lu\n0.500000 0.700226 0.750000 Ta\n0.500000 0.299773 0.250000 Ta\n0.263639 0.564393 -0.004104 O\n0.736361 0.564393 0.504104 O\n0.736361 0.435606 0.004104 O\n0.263639 0.435606 0.495896 O\n0.753584 0.077759 0.408524 O\n0.246416 0.077759 0.091477 O\n0.246416 0.922240 0.591477 O\n0.753584 0.922240 0.908524 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Lu",
                "Ta",
                "O"
            ],
            "chemical_system": "Lu-O-Ta",
            "density": 9.769145869342257,
            "density_atomic": 0.08406204771596563,
            "volume": 142.7516974193442,
            "volume_molar": 7.163923463235163,
            "formula_full": "Lu2 Ta2 O8",
            "formula_reduced": "LuTaO4",
            "formula_anonymous": "ABC4",
            "energy_above_hull": 2.6820648250000003,
            "spacegroup": 13
        },
        {
            "id": "jvasp-86129",
            "created_at": "2022-09-04T14:35:48.076526Z",
            "updated_at": "2022-09-04T14:35:48.076554Z",
            "structure_string": "Y2 Cr2 O8\n1.0\n4.664152 -0.000000 -1.893775\n-0.768925 4.600333 -1.893775\n-0.010908 -0.012883 6.663660\nY Cr O\n2 2 8\ndirect\n0.375000 0.125000 0.750000 Y\n0.625000 0.875000 0.250001 Y\n0.875000 0.625000 0.750001 Cr\n0.125000 0.375000 0.250000 Cr\n0.060721 0.196502 0.406993 O\n0.696501 0.846273 0.906994 O\n0.346273 0.710492 0.406993 O\n0.210492 0.560721 0.906993 O\n0.789508 0.439279 0.093008 O\n0.303499 0.153727 0.093008 O\n0.939280 0.803499 0.593009 O\n0.653727 0.289508 0.593008 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Y",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O-Y",
            "density": 4.766911939396592,
            "density_atomic": 0.08406172107110453,
            "volume": 142.7522521201971,
            "volume_molar": 7.163951300623629,
            "formula_full": "Y2 Cr2 O8",
            "formula_reduced": "YCrO4",
            "formula_anonymous": "ABC4",
            "energy_above_hull": 2.734221141666666,
            "spacegroup": 88
        },
        {
            "id": "jvasp-119207",
            "created_at": "2022-09-04T14:38:52.241732Z",
            "updated_at": "2022-09-04T14:38:52.241757Z",
            "structure_string": "Ca2 La2 Ti3 Cu1 O12\n1.0\n3.874420 -0.000000 0.000000\n0.000000 3.874420 0.000000\n-0.000000 -0.000000 15.849741\nCa La Ti Cu O\n2 2 3 1 12\ndirect\n0.500000 0.500000 0.621433 Ca\n0.500000 0.500000 0.378567 Ca\n0.500000 0.500000 0.883818 La\n0.500000 0.500000 0.116182 La\n0.000000 0.000000 0.745180 Ti\n0.000000 0.000000 0.254820 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.377851 O\n0.000000 0.000000 0.622149 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 0.254134 O\n0.000000 0.000000 0.134116 O\n-0.000000 0.500000 0.745866 O\n0.500000 0.000000 0.745866 O\n0.500000 0.000000 0.500000 O\n0.000000 0.000000 0.865884 O\n0.500000 0.000000 0.254134 O\n-0.000000 0.500000 0.500000 O\n",
            "nsites": 20,
            "nelements": 5,
            "elements": [
                "Ca",
                "La",
                "Ti",
                "Cu",
                "O"
            ],
            "chemical_system": "Ca-Cu-La-O-Ti",
            "density": 5.2840953321775865,
            "density_atomic": 0.08406097637072743,
            "volume": 237.9225279491829,
            "volume_molar": 7.164014766425068,
            "formula_full": "Ca2 La2 Ti3 Cu1 O12",
            "formula_reduced": "Ca2La2Ti3CuO12",
            "formula_anonymous": "AB2C2D3E12",
            "energy_above_hull": 2.5529034145,
            "spacegroup": 123
        },
        {
            "id": "jvasp-122528",
            "created_at": "2022-09-04T14:38:54.338676Z",
            "updated_at": "2022-09-04T14:38:54.338711Z",
            "structure_string": "Lu2 W2 O8\n1.0\n4.727719 -0.000564 -4.460606\n-0.880002 4.645097 -4.460606\n0.000467 0.000564 6.499872\nLu W O\n2 2 8\ndirect\n0.250001 0.750000 0.500000 Lu\n0.500000 0.500001 0.000000 Lu\n0.000000 0.000000 0.000000 W\n0.750001 0.250000 0.500000 W\n0.093841 0.522957 0.943043 O\n0.900797 0.343841 0.070883 O\n0.272958 0.829913 0.929117 O\n0.170088 0.099203 0.443043 O\n0.579913 0.150797 0.056957 O\n0.477044 0.420087 0.570883 O\n0.849205 0.906161 0.429117 O\n0.656161 0.727043 0.556957 O\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Lu",
                "W",
                "O"
            ],
            "chemical_system": "Lu-O-W",
            "density": 9.835693851330895,
            "density_atomic": 0.08405575464238155,
            "volume": 142.76238493193551,
            "volume_molar": 7.1644598107784905,
            "formula_full": "Lu2 W2 O8",
            "formula_reduced": "LuWO4",
            "formula_anonymous": "ABC4",
            "energy_above_hull": 3.008071625,
            "spacegroup": 88
        },
        {
            "id": "jvasp-89976",
            "created_at": "2022-09-04T14:37:51.345007Z",
            "updated_at": "2022-09-04T14:37:51.345025Z",
            "structure_string": "Ti2 Cd1 O6\n1.0\n-0.000089 0.000154 -4.539476\n-2.609460 -4.519611 0.000099\n-2.609367 4.519557 -0.000197\nTi Cd O\n2 1 6\ndirect\n0.500001 0.666662 0.333331 Ti\n0.500001 0.333339 0.666670 Ti\n0.000000 0.000000 0.000000 Cd\n0.273314 0.362779 0.362787 O\n0.273313 0.637222 0.000008 O\n0.273297 0.000000 0.637206 O\n0.726688 0.637222 0.637214 O\n0.726687 0.362779 -0.000008 O\n0.726705 0.000001 0.362795 O\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Ti",
                "Cd",
                "O"
            ],
            "chemical_system": "Cd-O-Ti",
            "density": 4.716800973199275,
            "density_atomic": 0.08405536196846118,
            "volume": 107.0722888966552,
            "volume_molar": 7.164493280344919,
            "formula_full": "Ti2 Cd1 O6",
            "formula_reduced": "Ti2CdO6",
            "formula_anonymous": "AB2C6",
            "energy_above_hull": 2.412214157407407,
            "spacegroup": 162
        },
        {
            "id": "jvasp-89396",
            "created_at": "2022-09-04T14:36:09.417841Z",
            "updated_at": "2022-09-04T14:36:09.417871Z",
            "structure_string": "Na4 Cd4 H12 C12 O24\n1.0\n6.389318 -0.000000 0.000000\n0.000000 7.191735 0.000000\n0.000000 0.000000 14.499252\nNa Cd H C O\n4 4 12 12 24\ndirect\n0.750000 0.500000 0.279898 Na\n0.250000 0.500000 0.220102 Na\n0.750000 0.500000 0.779898 Na\n0.250000 0.500000 0.720102 Na\n0.750000 0.000000 0.427894 Cd\n0.250000 0.000000 0.572105 Cd\n0.750000 0.000000 0.927894 Cd\n0.250000 0.000000 0.072106 Cd\n0.693908 0.328096 0.073436 H\n0.193907 0.328096 0.926564 H\n0.306093 0.671904 0.926564 H\n0.806093 0.671904 0.073436 H\n0.500000 0.055852 0.750000 H\n0.693908 0.671904 0.573436 H\n0.193907 0.671904 0.426564 H\n0.500000 0.944149 0.250000 H\n0.306093 0.328096 0.426564 H\n0.000000 0.055852 0.250000 H\n0.000000 0.944149 0.750000 H\n0.806093 0.328096 0.573436 H\n0.859386 0.706650 0.589205 C\n0.140614 0.706650 0.910795 C\n0.140614 0.293350 0.410795 C\n0.359386 0.706650 0.410795 C\n0.000000 0.901145 0.250000 C\n0.359386 0.293350 0.910795 C\n0.500000 0.098856 0.250000 C\n0.640614 0.293350 0.589205 C\n0.500000 0.901145 0.750000 C\n0.859386 0.293350 0.089205 C\n0.000000 0.098856 0.750000 C\n0.640614 0.706650 0.089205 C\n0.103645 0.817696 0.187779 O\n0.546412 0.380608 0.650628 O\n0.103645 0.182305 0.687778 O\n0.396355 0.182305 0.187779 O\n0.061628 0.839894 0.959020 O\n0.953588 0.380608 0.150628 O\n0.546412 0.619393 0.150628 O\n0.896355 0.817696 0.312221 O\n0.938372 0.160107 0.040980 O\n0.561628 0.160107 0.540980 O\n0.953588 0.619393 0.650628 O\n0.896355 0.182305 0.812221 O\n0.561628 0.839894 0.040980 O\n0.603645 0.817696 0.812221 O\n0.438372 0.839894 0.459020 O\n0.938372 0.839894 0.540980 O\n0.046412 0.619393 0.849371 O\n0.061628 0.160107 0.459020 O\n0.603645 0.182305 0.312221 O\n0.438372 0.160107 0.959020 O\n0.453588 0.380608 0.849371 O\n0.046412 0.380608 0.349371 O\n0.396355 0.817696 0.687778 O\n0.453588 0.619393 0.349371 O\n",
            "nsites": 56,
            "nelements": 5,
            "elements": [
                "Na",
                "Cd",
                "H",
                "C",
                "O"
            ],
            "chemical_system": "C-Cd-H-Na-O",
            "density": 2.6962940750050692,
            "density_atomic": 0.08405319938634272,
            "volume": 666.2447165467338,
            "volume_molar": 7.164677613662021,
            "formula_full": "Na4 Cd4 H12 C12 O24",
            "formula_reduced": "NaCdH3(CO2)3",
            "formula_anonymous": "ABC3D3E6",
            "energy_above_hull": 3.2447935535714283,
            "spacegroup": 54
        },
        {
            "id": "jvasp-74506",
            "created_at": "2022-09-04T14:36:21.021804Z",
            "updated_at": "2022-09-04T14:36:21.021824Z",
            "structure_string": "Be2 Ga1 Pd1\n1.0\n3.034439 0.000000 0.000000\n0.000000 3.034439 -0.000000\n0.000000 0.000000 5.168450\nBe Ga Pd\n2 1 1\ndirect\n0.000000 0.000000 0.011068 Be\n0.500000 0.500000 0.228539 Be\n0.000000 0.000000 0.477960 Ga\n0.500000 0.500000 0.782434 Pd\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Be",
                "Ga",
                "Pd"
            ],
            "chemical_system": "Be-Ga-Pd",
            "density": 6.774982690739276,
            "density_atomic": 0.08405099308923004,
            "volume": 47.590157510138255,
            "volume_molar": 7.164865682915592,
            "formula_full": "Be2 Ga1 Pd1",
            "formula_reduced": "Be2GaPd",
            "formula_anonymous": "ABC2",
            "energy_above_hull": 1.1814275562499998,
            "spacegroup": 99
        }
    ]
}