GET /third-parties/JarvisStructure/?format=api&ordering=id&page=4174
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=id&page=4175",
    "previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4173",
    "results": [
        {
            "id": "jvasp-8826",
            "created_at": "2022-09-04T14:37:02.147148Z",
            "updated_at": "2022-09-04T14:37:02.147168Z",
            "structure_string": "Na2 Ce1 O3\n1.0\n4.565309 0.000000 0.000000\n-0.000000 4.565309 0.000000\n0.000000 0.000000 4.682047\nNa Ce O\n2 1 3\ndirect\n0.000000 0.500000 0.500000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Ce\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "Na",
                "Ce",
                "O"
            ],
            "chemical_system": "Ce-Na-O",
            "density": 3.983481186601522,
            "density_atomic": 0.06148584214951411,
            "volume": 97.58344019115651,
            "volume_molar": 9.794353544603098,
            "formula_full": "Na2 Ce1 O3",
            "formula_reduced": "Na2CeO3",
            "formula_anonymous": "AB2C3",
            "energy_above_hull": 1.0639756666666669,
            "spacegroup": 123
        },
        {
            "id": "jvasp-8827",
            "created_at": "2022-09-04T14:36:49.687433Z",
            "updated_at": "2022-09-04T14:36:49.687456Z",
            "structure_string": "Li3 Ta1 O4\n1.0\n5.821274 -0.000000 0.000000\n5.821274 5.157194 0.081864\n2.910637 3.476739 2.458353\nLi Ta O\n3 1 4\ndirect\n0.500000 0.000000 0.000000 Li\n0.249997 0.500000 -0.000001 Li\n0.750002 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500001 0.499998 O\n0.227516 0.000021 0.544928 O\n-0.000000 0.500001 0.499998 O\n0.772484 -0.000020 0.455071 O\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Li",
                "Ta",
                "O"
            ],
            "chemical_system": "Li-O-Ta",
            "density": 6.1169880018922305,
            "density_atomic": 0.1108855731495514,
            "volume": 72.1464458609994,
            "volume_molar": 5.430950653858222,
            "formula_full": "Li3 Ta1 O4",
            "formula_reduced": "Li3TaO4",
            "formula_anonymous": "AB3C4",
            "energy_above_hull": 2.3520929,
            "spacegroup": 139
        },
        {
            "id": "jvasp-88271",
            "created_at": "2022-09-04T14:35:58.486927Z",
            "updated_at": "2022-09-04T14:35:58.486964Z",
            "structure_string": "Mg8 Si8 O24\n1.0\n5.361753 -0.000000 0.000000\n-0.000000 8.771100 0.000000\n0.000000 0.000000 9.341581\nMg Si O\n8 8 24\ndirect\n0.250000 0.263128 0.000000 Mg\n0.250000 0.904375 0.000000 Mg\n0.250000 0.763128 0.500000 Mg\n0.750000 0.595625 0.500000 Mg\n0.750000 0.736872 0.000000 Mg\n0.750000 0.095625 0.000000 Mg\n0.750000 0.236872 0.500000 Mg\n0.250000 0.404375 0.500000 Mg\n0.566388 0.408381 0.207771 Si\n0.566388 0.908381 0.292229 Si\n0.066389 0.091619 0.292229 Si\n0.933611 0.908381 0.707771 Si\n0.066389 0.591619 0.207771 Si\n0.433611 0.091619 0.707771 Si\n0.433611 0.591619 0.792229 Si\n0.933611 0.408381 0.792229 Si\n0.078653 0.593999 0.382200 O\n0.711519 0.526222 0.849958 O\n0.788481 0.526222 0.150042 O\n0.921346 0.406001 0.617799 O\n0.921346 0.906001 0.882200 O\n0.578653 0.906001 0.117800 O\n0.788481 0.026222 0.349958 O\n0.711519 0.026222 0.650042 O\n0.211519 -0.026222 0.650042 O\n0.211519 0.473778 0.849958 O\n0.421347 0.593999 0.617799 O\n0.421347 0.093999 0.882200 O\n0.569892 0.249200 0.122631 O\n0.430108 0.250800 0.622631 O\n0.069892 0.750800 0.122631 O\n0.569892 0.749199 0.377369 O\n0.578653 0.406001 0.382200 O\n0.288481 -0.026222 0.349958 O\n0.430108 0.750800 0.877369 O\n0.069892 0.250800 0.377369 O\n0.078653 0.093999 0.117800 O\n0.288481 0.473778 0.150042 O\n0.930108 0.249200 0.877369 O\n0.930108 0.749199 0.622631 O\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Mg",
                "Si",
                "O"
            ],
            "chemical_system": "Mg-O-Si",
            "density": 3.035586864968513,
            "density_atomic": 0.09104974661672542,
            "volume": 439.32027804954026,
            "volume_molar": 6.614121382841675,
            "formula_full": "Mg8 Si8 O24",
            "formula_reduced": "MgSiO3",
            "formula_anonymous": "ABC3",
            "energy_above_hull": 1.42328163,
            "spacegroup": 60
        },
        {
            "id": "jvasp-8828",
            "created_at": "2022-09-04T14:37:06.973232Z",
            "updated_at": "2022-09-04T14:37:06.973257Z",
            "structure_string": "Zn2 Ge1 Se4\n1.0\n8.056737 0.000000 -0.000000\n8.056737 6.697189 -0.197957\n4.028369 4.371447 3.091025\nZn Ge Se\n2 1 4\ndirect\n-0.000003 0.000002 0.000001 Zn\n0.499999 0.000002 0.000001 Zn\n0.250000 0.500003 -0.000004 Ge\n0.392243 0.500001 0.229942 Se\n0.107751 0.014442 0.255614 Se\n0.877815 0.500001 0.229942 Se\n0.622196 0.985554 0.284502 Se\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "Zn",
                "Ge",
                "Se"
            ],
            "chemical_system": "Ge-Se-Zn",
            "density": 4.962792787346262,
            "density_atomic": 0.040286397630855675,
            "volume": 173.755917919021,
            "volume_molar": 14.94832279416215,
            "formula_full": "Zn2 Ge1 Se4",
            "formula_reduced": "Zn2GeSe4",
            "formula_anonymous": "AB2C4",
            "energy_above_hull": 0.4506728880952381,
            "spacegroup": 121
        },
        {
            "id": "jvasp-88283",
            "created_at": "2022-09-04T14:36:04.100034Z",
            "updated_at": "2022-09-04T14:36:04.100064Z",
            "structure_string": "Na8 Zn4 P8 O28\n1.0\n7.771738 0.000000 0.000000\n0.000000 7.771738 0.000000\n0.000000 0.000000 10.264515\nNa Zn P O\n8 4 8 28\ndirect\n0.356750 0.356750 0.500000 Na\n0.806126 0.193875 0.500000 Na\n0.643251 0.643251 0.500000 Na\n0.143250 0.856750 0.000000 Na\n0.193875 0.806126 0.500000 Na\n0.856750 0.143250 0.000000 Na\n0.693875 0.693875 0.000000 Na\n0.306126 0.306126 0.000000 Na\n0.500000 0.000000 0.750000 Zn\n0.500000 0.000000 0.250000 Zn\n0.000000 0.500000 0.250000 Zn\n0.000000 0.500000 0.750000 Zn\n0.638731 0.361269 0.791122 P\n0.361269 0.638731 0.791122 P\n0.361269 0.638731 0.208878 P\n0.861269 0.861269 0.291122 P\n0.138731 0.138731 0.708877 P\n0.138731 0.138731 0.291122 P\n0.638731 0.361269 0.208878 P\n0.861269 0.861269 0.708877 P\n0.136318 0.136318 0.143971 O\n0.636319 0.363682 0.356028 O\n0.636319 0.363682 0.643971 O\n0.363682 0.636319 0.643971 O\n0.080863 0.307750 0.355858 O\n0.500000 0.500000 0.848670 O\n0.919137 0.692250 0.355858 O\n0.307750 0.080863 0.644142 O\n0.807750 0.419137 0.855858 O\n0.192250 0.580863 0.855858 O\n0.419137 0.807750 0.144142 O\n0.580863 0.192250 0.144142 O\n0.692250 0.919137 0.644142 O\n0.919137 0.692250 0.644142 O\n0.080863 0.307750 0.644142 O\n0.500000 0.500000 0.151330 O\n0.692250 0.919137 0.355858 O\n0.807750 0.419137 0.144142 O\n0.580863 0.192250 0.855858 O\n0.419137 0.807750 0.855858 O\n0.307750 0.080863 0.355858 O\n0.863682 0.863682 0.856028 O\n0.136318 0.136318 0.856028 O\n0.863682 0.863682 0.143971 O\n0.363682 0.636319 0.356028 O\n0.000000 0.000000 0.348670 O\n0.192250 0.580863 0.144142 O\n0.000000 0.000000 0.651330 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Na",
                "Zn",
                "P",
                "O"
            ],
            "chemical_system": "Na-O-P-Zn",
            "density": 3.0569238750884495,
            "density_atomic": 0.07742237705770984,
            "volume": 619.9757980076134,
            "volume_molar": 7.778294840406616,
            "formula_full": "Na8 Zn4 P8 O28",
            "formula_reduced": "Na2ZnP2O7",
            "formula_anonymous": "AB2C2D7",
            "energy_above_hull": 1.8289769916666665,
            "spacegroup": 136
        },
        {
            "id": "jvasp-88284",
            "created_at": "2022-09-04T14:36:10.280431Z",
            "updated_at": "2022-09-04T14:36:10.280455Z",
            "structure_string": "Ca4 Mg4 Si4 O16\n1.0\n4.857627 -0.000000 0.000000\n0.000000 6.397389 0.000000\n0.000000 0.000000 11.133673\nCa Mg Si O\n4 4 4 16\ndirect\n0.522073 0.250000 0.776358 Ca\n0.977928 0.250000 0.276358 Ca\n0.022073 0.750000 0.723642 Ca\n0.477927 0.750000 0.223642 Ca\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.587595 0.750000 0.918989 Si\n0.912405 0.750000 0.418989 Si\n0.412405 0.250000 0.081010 Si\n0.087595 0.250000 0.581010 Si\n0.248747 0.750000 0.422996 O\n0.748747 0.250000 0.077004 O\n0.227957 0.456132 0.647355 O\n0.752122 0.750000 0.552195 O\n0.252122 0.250000 0.947804 O\n0.247879 0.250000 0.447804 O\n0.747879 0.750000 0.052195 O\n0.727957 0.956132 0.852645 O\n0.227957 0.043868 0.647355 O\n0.272044 0.456132 0.147355 O\n0.772044 0.543868 0.352645 O\n0.272044 0.043868 0.147355 O\n0.772044 0.956132 0.352645 O\n0.727957 0.543868 0.852645 O\n0.251254 0.750000 0.922996 O\n0.751254 0.250000 0.577003 O\n",
            "nsites": 28,
            "nelements": 4,
            "elements": [
                "Ca",
                "Mg",
                "Si",
                "O"
            ],
            "chemical_system": "Ca-Mg-O-Si",
            "density": 3.003751229879091,
            "density_atomic": 0.0809268519150431,
            "volume": 345.99146435838577,
            "volume_molar": 7.441461786159722,
            "formula_full": "Ca4 Mg4 Si4 O16",
            "formula_reduced": "CaMgSiO4",
            "formula_anonymous": "ABCD4",
            "energy_above_hull": 1.4170902957142857,
            "spacegroup": 62
        },
        {
            "id": "jvasp-88299",
            "created_at": "2022-09-04T14:36:14.396917Z",
            "updated_at": "2022-09-04T14:36:14.396945Z",
            "structure_string": "K4 Cu4 C8 N8\n1.0\n7.301885 -0.011324 0.000000\n-1.584132 7.394302 0.000000\n0.000000 0.000000 7.657830\nK Cu C N\n4 4 8 8\ndirect\n0.687910 0.304960 0.928857 K\n0.812091 0.695040 0.428856 K\n0.312091 0.695040 0.071143 K\n0.187910 0.304960 0.571143 K\n0.590930 0.110848 0.378955 Cu\n0.409071 0.889152 0.621045 Cu\n0.090929 0.110848 0.121045 Cu\n0.909072 0.889152 0.878955 Cu\n0.228859 0.061541 0.922452 C\n0.771142 0.938460 0.077548 C\n0.029930 0.330405 0.199239 C\n0.470070 0.669596 0.699239 C\n0.970071 0.669596 0.800761 C\n0.529931 0.330405 0.300761 C\n0.728860 0.061541 0.577548 C\n0.271141 0.938459 0.422452 C\n0.997686 0.531224 0.749060 N\n0.502315 0.468777 0.249060 N\n0.840451 0.037643 0.681693 N\n0.659551 0.962358 0.181693 N\n0.002315 0.468777 0.250940 N\n0.159550 0.962357 0.318307 N\n0.497686 0.531224 0.750940 N\n0.340451 0.037643 0.818307 N\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "K",
                "Cu",
                "C",
                "N"
            ],
            "chemical_system": "C-Cu-K-N",
            "density": 2.485691044487774,
            "density_atomic": 0.05806543234716194,
            "volume": 413.32681132052306,
            "volume_molar": 10.371300990225631,
            "formula_full": "K4 Cu4 C8 N8",
            "formula_reduced": "KCu(CN)2",
            "formula_anonymous": "ABC2D2",
            "energy_above_hull": 3.859612491666666,
            "spacegroup": 14
        },
        {
            "id": "jvasp-88303",
            "created_at": "2022-09-04T14:36:19.089963Z",
            "updated_at": "2022-09-04T14:36:19.089994Z",
            "structure_string": "Sr8 Cr4 Cl4 O16\n1.0\n6.530299 0.000000 0.000000\n-0.000000 7.512988 0.000000\n0.000000 0.000000 11.457768\nSr Cr Cl O\n8 4 4 16\ndirect\n0.136093 0.465533 0.250000 Sr\n0.621079 0.250000 0.000000 Sr\n0.378921 0.750000 0.000000 Sr\n0.621079 0.250000 0.500000 Sr\n0.136093 0.034467 0.750000 Sr\n0.863907 0.965533 0.250000 Sr\n0.863907 0.534467 0.750000 Sr\n0.378921 0.750000 0.500000 Sr\n0.876527 0.750000 0.500000 Cr\n0.123473 0.250000 0.000000 Cr\n0.876527 0.750000 0.000000 Cr\n0.123473 0.250000 0.500000 Cr\n0.522978 0.674584 0.250000 Cl\n0.477022 0.174584 0.250000 Cl\n0.522978 0.825417 0.750000 Cl\n0.477022 0.325416 0.750000 Cl\n0.034870 0.729245 0.119172 O\n0.281630 0.425610 0.469464 O\n0.718370 0.574390 0.530536 O\n0.281630 0.425610 0.030536 O\n0.965130 0.270755 0.880828 O\n0.718370 0.925611 0.469464 O\n0.965130 0.229245 0.380828 O\n0.034870 0.770755 0.619172 O\n0.718370 0.574390 0.969464 O\n0.965130 0.229245 0.119172 O\n0.281630 0.074390 0.969464 O\n0.965130 0.270755 0.619172 O\n0.034870 0.729245 0.380828 O\n0.281630 0.074390 0.530536 O\n0.718370 0.925611 0.030536 O\n0.034870 0.770755 0.880828 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Sr",
                "Cr",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Cr-O-Sr",
            "density": 3.8600662338297687,
            "density_atomic": 0.056925151127558506,
            "volume": 562.1416784347932,
            "volume_molar": 10.579050983115566,
            "formula_full": "Sr8 Cr4 Cl4 O16",
            "formula_reduced": "Sr2CrClO4",
            "formula_anonymous": "ABC2D4",
            "energy_above_hull": 1.6076497609374998,
            "spacegroup": 57
        },
        {
            "id": "jvasp-88310",
            "created_at": "2022-09-04T14:35:42.816278Z",
            "updated_at": "2022-09-04T14:35:42.816307Z",
            "structure_string": "Li16 H8 N8\n1.0\n-3.529383 4.993738 3.518188\n3.529383 -4.993738 3.518188\n3.529383 4.993738 -3.518188\nLi H N\n16 8 8\ndirect\n0.987740 0.120266 0.367474 Li\n0.717957 0.595280 0.108195 Li\n0.487085 0.095279 0.377323 Li\n0.717957 0.109761 0.622677 Li\n0.253463 0.645288 0.622691 Li\n0.022597 0.630772 0.377308 Li\n0.253463 0.130772 0.108175 Li\n0.022597 0.145288 0.891825 Li\n0.487085 0.609761 0.891805 Li\n0.870312 0.870287 0.500025 Li\n0.476340 0.620289 0.356051 Li\n0.264238 0.120288 0.643949 Li\n0.247184 0.620282 0.126902 Li\n0.493380 0.120281 0.873098 Li\n0.752792 0.620265 0.632526 Li\n0.370262 0.370286 0.499975 Li\n0.064017 0.453675 0.777152 H\n0.676523 0.286864 0.222848 H\n0.064017 0.786864 0.110341 H\n0.676523 0.953675 0.889658 H\n0.959411 0.260898 0.198514 H\n0.781159 0.479646 0.801512 H\n0.678134 0.979646 0.198488 H\n0.062384 0.760897 0.801486 H\n0.129686 0.900803 0.289950 N\n0.600838 0.359749 0.741088 N\n0.618662 0.859750 0.258911 N\n0.121878 0.880804 0.741073 N\n0.139731 0.380804 0.258926 N\n0.129686 0.339735 0.728882 N\n0.610853 0.400804 0.271118 N\n0.610853 0.839735 0.710050 N\n",
            "nsites": 32,
            "nelements": 3,
            "elements": [
                "Li",
                "H",
                "N"
            ],
            "chemical_system": "H-Li-N",
            "density": 1.5476860035536628,
            "density_atomic": 0.12901684028181745,
            "volume": 248.02963651954983,
            "volume_molar": 4.667716824288642,
            "formula_full": "Li16 H8 N8",
            "formula_reduced": "Li2HN",
            "formula_anonymous": "ABC2",
            "energy_above_hull": 2.1261883125,
            "spacegroup": 74
        },
        {
            "id": "jvasp-88311",
            "created_at": "2022-09-04T14:35:47.476502Z",
            "updated_at": "2022-09-04T14:35:47.476529Z",
            "structure_string": "Na8 P4 H4 O16\n1.0\n4.871065 0.000000 -2.402251\n0.000000 6.848046 0.000000\n0.045122 0.000000 10.959781\nNa P H O\n8 4 4 16\ndirect\n-0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n-0.000000 0.000000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.390431 0.264349 0.891439 Na\n0.609569 0.764349 0.608561 Na\n0.609569 0.735652 0.108561 Na\n0.390431 0.235652 0.391439 Na\n0.661199 0.248049 0.691381 P\n0.338801 0.748050 0.808619 P\n0.338802 0.751951 0.308620 P\n0.661199 0.251951 0.191381 P\n0.960856 0.005051 0.237201 H\n0.039145 0.505052 0.262799 H\n0.039145 0.994949 0.762799 H\n0.960856 0.494949 0.737201 H\n0.215678 0.555145 0.345340 O\n0.784323 0.055145 0.154660 O\n0.788818 0.425087 0.146932 O\n0.211182 0.925087 0.353069 O\n0.211182 0.574914 0.853069 O\n0.788818 0.074913 0.646931 O\n0.760127 0.250584 0.345287 O\n0.239874 0.750585 0.154713 O\n0.760126 0.249416 0.845287 O\n0.352224 0.244009 0.105128 O\n0.647777 0.744009 0.394872 O\n0.647777 0.755992 0.894872 O\n0.352224 0.255991 0.605128 O\n0.215678 0.944856 0.845340 O\n0.239874 0.749416 0.654713 O\n0.784322 0.444856 0.654660 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "Na",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-Na-O-P",
            "density": 2.5739385023445998,
            "density_atomic": 0.08735275612515586,
            "volume": 366.3307423769384,
            "volume_molar": 6.894047797841313,
            "formula_full": "Na8 P4 H4 O16",
            "formula_reduced": "Na2PHO4",
            "formula_anonymous": "ABC2D4",
            "energy_above_hull": 1.7408809375,
            "spacegroup": 14
        },
        {
            "id": "jvasp-88321",
            "created_at": "2022-09-04T14:35:52.280488Z",
            "updated_at": "2022-09-04T14:35:52.280512Z",
            "structure_string": "B4 H20 C4 S4 N8\n1.0\n9.098947 0.000000 0.000000\n0.000000 6.547418 -0.000000\n0.000000 0.000000 7.123603\nB H C S N\n4 20 4 4 8\ndirect\n0.733742 0.250000 0.819539 B\n0.233742 0.250000 0.680460 B\n0.266258 0.750000 0.180461 B\n0.766258 0.750000 0.319539 B\n0.158837 0.403955 0.675076 H\n0.658837 0.096045 0.824923 H\n0.841163 0.903955 0.324924 H\n0.341163 0.596045 0.175076 H\n0.341163 0.903955 0.175076 H\n0.158837 0.096045 0.675076 H\n0.658837 0.403955 0.824923 H\n0.390757 0.377317 0.882858 H\n0.890757 0.122683 0.617141 H\n0.841163 0.596045 0.324924 H\n0.109243 0.622683 0.382858 H\n0.609243 0.622683 0.117142 H\n0.109243 0.877317 0.382858 H\n0.390757 0.122683 0.882858 H\n0.890757 0.377317 0.617141 H\n0.745218 0.750000 0.011501 H\n0.245218 0.750000 0.488499 H\n0.254783 0.250000 0.988498 H\n0.754783 0.250000 0.511501 H\n0.609243 0.877317 0.117142 H\n0.558349 0.750000 0.587914 C\n0.058349 0.750000 0.912086 C\n0.941652 0.250000 0.087914 C\n0.441651 0.250000 0.412086 C\n0.071945 0.250000 0.240605 S\n0.571946 0.250000 0.259395 S\n0.928055 0.750000 0.759395 S\n0.428055 0.750000 0.740605 S\n0.175889 0.750000 0.372863 N\n0.846037 0.250000 0.976000 N\n0.346037 0.250000 0.523999 N\n0.153963 0.750000 0.024000 N\n0.653964 0.750000 0.476000 N\n0.824111 0.250000 0.627137 N\n0.324111 0.250000 0.872863 N\n0.675890 0.750000 0.127137 N\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "B",
                "H",
                "C",
                "S",
                "N"
            ],
            "chemical_system": "B-C-H-N-S",
            "density": 1.376365096954686,
            "density_atomic": 0.09425384585678558,
            "volume": 424.38586602373954,
            "volume_molar": 6.389278554373652,
            "formula_full": "B4 H20 C4 S4 N8",
            "formula_reduced": "BH5CSN2",
            "formula_anonymous": "ABCD2E5",
            "energy_above_hull": 4.237868908333333,
            "spacegroup": 62
        },
        {
            "id": "jvasp-88328",
            "created_at": "2022-09-04T14:35:57.024266Z",
            "updated_at": "2022-09-04T14:35:57.024287Z",
            "structure_string": "H16 C4 S4 N8 O8\n1.0\n10.096981 0.000000 -0.000000\n0.000000 10.940123 0.000000\n-0.000000 0.000000 3.627706\nH C S N O\n16 4 4 8 8\ndirect\n0.128674 0.752397 0.222334 H\n0.452637 0.617159 0.374982 H\n0.547363 0.882841 0.874982 H\n0.952637 0.382841 0.625020 H\n0.952637 0.882841 0.874982 H\n0.547363 0.382841 0.625020 H\n0.452637 0.117159 0.125019 H\n0.047363 0.117159 0.125019 H\n0.047363 0.617159 0.374982 H\n0.371326 0.752397 0.222334 H\n0.628674 0.747602 0.722335 H\n0.871326 0.247603 0.777667 H\n0.871326 0.747602 0.722335 H\n0.628674 0.247603 0.777667 H\n0.371326 0.252397 0.277666 H\n0.128674 0.252397 0.277666 H\n0.750000 0.387701 0.613702 C\n0.750000 0.887701 0.886300 C\n0.250000 0.612299 0.386299 C\n0.250000 0.112299 0.113701 C\n0.250000 0.961384 0.862130 S\n0.250000 0.461384 0.637872 S\n0.750000 0.038616 0.137871 S\n0.750000 0.538616 0.362130 S\n0.134538 0.164105 0.173267 N\n0.365462 0.664105 0.326734 N\n0.634538 0.835895 0.826734 N\n0.865461 0.335895 0.673267 N\n0.634538 0.335895 0.673267 N\n0.365462 0.164105 0.173267 N\n0.134538 0.664105 0.326734 N\n0.865461 0.835895 0.826734 N\n0.373121 0.902925 0.018919 O\n0.126879 0.902925 0.018919 O\n0.373121 0.402925 0.481082 O\n0.626878 0.097074 0.981082 O\n0.873121 0.597074 0.518920 O\n0.873121 0.097074 0.981082 O\n0.626878 0.597074 0.518920 O\n0.126879 0.402925 0.481082 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-S",
            "density": 1.7921234926777323,
            "density_atomic": 0.0998192182248609,
            "volume": 400.72443675017314,
            "volume_molar": 6.033047410203149,
            "formula_full": "H16 C4 S4 N8 O8",
            "formula_reduced": "H4CS(NO)2",
            "formula_anonymous": "ABC2D2E4",
            "energy_above_hull": 3.94656235,
            "spacegroup": 62
        }
    ]
}