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=-spacegroup&page=3593",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3591",
"results": [
{
"id": "jvasp-10972",
"created_at": "2022-09-04T14:37:13.125521Z",
"updated_at": "2022-09-04T14:37:13.125548Z",
"structure_string": "Sr4 Ca4 Ge4\n1.0\n4.936890 -0.000000 0.000000\n0.000000 8.075966 0.000000\n0.000000 0.000000 9.086041\nSr Ca Ge\n4 4 4\ndirect\n0.250000 0.521517 0.179389 Sr\n0.250000 0.021517 0.320611 Sr\n0.750000 0.978483 0.679388 Sr\n0.750000 0.478483 0.820611 Sr\n0.750000 0.852051 0.074820 Ca\n0.250000 0.147949 0.925179 Ca\n0.750000 0.352051 0.425179 Ca\n0.250000 0.647950 0.574820 Ca\n0.750000 0.232565 0.104830 Ge\n0.250000 0.267435 0.604830 Ge\n0.250000 0.767435 0.895170 Ge\n0.750000 0.732566 0.395170 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Ca",
"Ge"
],
"chemical_system": "Ca-Ge-Sr",
"density": 3.6732441688194855,
"density_atomic": 0.033125208554729425,
"volume": 362.26187014562083,
"volume_molar": 18.179933116648087,
"formula_full": "Sr4 Ca4 Ge4",
"formula_reduced": "SrCaGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-51014",
"created_at": "2022-09-04T14:37:13.186958Z",
"updated_at": "2022-09-04T14:37:13.186977Z",
"structure_string": "Cr4 H4 O8\n1.0\n2.999833 -0.000000 0.000000\n-0.000000 4.460683 0.000000\n0.000000 0.000000 9.852055\nCr H O\n4 4 8\ndirect\n0.250000 0.543954 0.639831 Cr\n0.250000 0.956045 0.139831 Cr\n0.749999 0.456046 0.360169 Cr\n0.749999 0.043954 0.860169 Cr\n0.250000 0.920423 0.405663 H\n0.250000 0.579576 0.905663 H\n0.749999 0.079576 0.594336 H\n0.749999 0.420423 0.094337 H\n0.250000 0.196641 0.306225 O\n0.250000 0.303359 0.806225 O\n0.749999 0.803358 0.693774 O\n0.749999 0.696641 0.193775 O\n0.250000 0.706107 0.443620 O\n0.250000 0.793892 0.943620 O\n0.749999 0.293892 0.556379 O\n0.749999 0.206107 0.056380 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cr",
"H",
"O"
],
"chemical_system": "Cr-H-O",
"density": 4.282696098152207,
"density_atomic": 0.12136535082492862,
"volume": 131.8333436293547,
"volume_molar": 4.961993451233895,
"formula_full": "Cr4 H4 O8",
"formula_reduced": "CrHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.6109486000000004,
"spacegroup": 62
},
{
"id": "jvasp-55532",
"created_at": "2022-09-04T14:37:13.384968Z",
"updated_at": "2022-09-04T14:37:13.384982Z",
"structure_string": "Pb4 S4 O12\n1.0\n5.528873 0.000000 0.000000\n-0.000000 6.832260 0.000000\n0.000000 0.000000 7.908667\nPb S O\n4 4 12\ndirect\n0.250000 0.366259 0.685754 Pb\n0.750000 0.633741 0.314247 Pb\n0.750000 0.866259 0.814247 Pb\n0.250000 0.133741 0.185753 Pb\n0.750000 0.351977 0.966391 S\n0.250000 0.648023 0.033609 S\n0.250000 0.851977 0.533610 S\n0.750000 0.148023 0.466391 S\n0.250000 0.984375 0.689519 O\n0.750000 0.015625 0.310482 O\n0.529991 0.284879 0.438785 O\n0.029992 0.715121 0.561215 O\n0.470008 0.784879 0.061215 O\n0.529991 0.215121 0.938786 O\n0.470008 0.715121 0.561215 O\n0.970008 0.284879 0.438785 O\n0.250000 0.515625 0.189519 O\n0.029992 0.784879 0.061215 O\n0.970008 0.215121 0.938786 O\n0.750000 0.484375 0.810482 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pb",
"S",
"O"
],
"chemical_system": "O-Pb-S",
"density": 6.386821727271044,
"density_atomic": 0.06694616550944278,
"volume": 298.7475062657471,
"volume_molar": 8.995497672156556,
"formula_full": "Pb4 S4 O12",
"formula_reduced": "PbSO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.715916264,
"spacegroup": 62
},
{
"id": "jvasp-57779",
"created_at": "2022-09-04T14:37:13.917974Z",
"updated_at": "2022-09-04T14:37:13.918003Z",
"structure_string": "Mg4 S4 O16\n1.0\n4.762537 -0.000000 0.000000\n-0.000000 6.667796 0.000000\n0.000000 0.000000 8.651149\nMg S O\n4 4 16\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.976967 0.750000 0.321071 S\n0.476966 0.250000 0.178929 S\n0.023034 0.250000 0.678929 S\n0.523034 0.750000 0.821071 S\n0.661484 0.932889 0.875215 O\n0.161483 0.067112 0.624785 O\n0.661484 0.567112 0.875215 O\n0.161483 0.432889 0.624785 O\n0.338517 0.067112 0.124785 O\n0.838517 0.932889 0.375215 O\n0.960177 0.750000 0.147305 O\n0.274896 0.750000 0.374552 O\n0.039824 0.250000 0.852696 O\n0.539824 0.750000 0.647305 O\n0.838517 0.567112 0.375215 O\n0.774896 0.250000 0.125448 O\n0.725105 0.250000 0.625448 O\n0.225105 0.750000 0.874552 O\n0.460176 0.250000 0.352695 O\n0.338517 0.432889 0.124785 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mg",
"S",
"O"
],
"chemical_system": "Mg-O-S",
"density": 2.9102093462112126,
"density_atomic": 0.08736083628821045,
"volume": 274.7226448339169,
"volume_molar": 6.893410154788893,
"formula_full": "Mg4 S4 O16",
"formula_reduced": "MgSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.631288841666667,
"spacegroup": 62
},
{
"id": "jvasp-52335",
"created_at": "2022-09-04T14:37:13.686647Z",
"updated_at": "2022-09-04T14:37:13.686663Z",
"structure_string": "Li4 Ti4 Si4 O16\n1.0\n0.000000 4.774897 -0.002056\n10.306817 0.000000 0.000000\n0.000000 -0.002289 -5.887624\nLi Ti Si O\n4 4 4 16\ndirect\n0.750014 0.703010 0.250089 Li\n0.250031 0.202905 0.249965 Li\n0.749969 0.702905 0.750035 Li\n0.249986 0.203010 0.749911 Li\n0.746845 0.976457 0.999978 Ti\n0.246838 0.929408 0.499991 Ti\n0.753162 0.429408 0.500009 Ti\n0.253155 0.476457 0.000022 Ti\n0.807964 0.295673 0.000007 Si\n0.307960 0.610184 0.500012 Si\n0.692041 0.110184 0.499988 Si\n0.192037 0.795673 -0.000006 Si\n0.039106 0.875478 0.785114 O\n0.960911 0.375473 0.785122 O\n0.460899 0.530385 0.714893 O\n0.555386 0.255999 0.500012 O\n0.968931 0.605626 0.500041 O\n0.539116 0.030375 0.714868 O\n0.460884 0.530375 0.285132 O\n0.531062 0.800249 0.000004 O\n0.444614 0.755999 0.499988 O\n0.539102 0.030385 0.285107 O\n0.039090 0.875473 0.214878 O\n0.960895 0.375478 0.214886 O\n0.468938 0.300249 -0.000004 O\n0.055391 0.649860 0.000005 O\n0.031069 0.105626 0.499959 O\n0.944609 0.149860 -0.000005 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ti",
"density": 3.3672538589214245,
"density_atomic": 0.09663385803537432,
"volume": 289.7535146506328,
"volume_molar": 6.231915896181546,
"formula_full": "Li4 Ti4 Si4 O16",
"formula_reduced": "LiTiSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.412024419047619,
"spacegroup": 62
},
{
"id": "jvasp-45372",
"created_at": "2022-09-04T14:37:13.806844Z",
"updated_at": "2022-09-04T14:37:13.806874Z",
"structure_string": "Tb8 S12\n1.0\n3.883415 0.000000 0.000000\n0.000000 10.468418 0.000000\n0.000000 0.000000 10.684396\nTb S\n8 12\ndirect\n0.250000 0.996614 0.807364 Tb\n0.750001 0.003387 0.192636 Tb\n0.750001 0.496614 0.692636 Tb\n0.250000 0.503387 0.307364 Tb\n0.250000 0.186826 0.489435 Tb\n0.750001 0.813175 0.510566 Tb\n0.750001 0.686826 0.010566 Tb\n0.250000 0.313174 0.989435 Tb\n0.750001 0.126309 0.954176 S\n0.250000 0.873691 0.045824 S\n0.250000 0.555715 0.880442 S\n0.750001 0.444286 0.119558 S\n0.750001 0.055714 0.619559 S\n0.750001 0.697548 0.272060 S\n0.250000 0.197548 0.227941 S\n0.750001 0.802452 0.772060 S\n0.750001 0.373691 0.454176 S\n0.250000 0.302452 0.727941 S\n0.250000 0.944286 0.380442 S\n0.250000 0.626309 0.545824 S\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Tb",
"S"
],
"chemical_system": "S-Tb",
"density": 6.331586320461919,
"density_atomic": 0.046045284456629976,
"volume": 434.35501020387846,
"volume_molar": 13.078735056294963,
"formula_full": "Tb8 S12",
"formula_reduced": "Tb2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.3683833600000002,
"spacegroup": 62
},
{
"id": "jvasp-9179",
"created_at": "2022-09-04T14:37:13.909134Z",
"updated_at": "2022-09-04T14:37:13.909146Z",
"structure_string": "Sr8 Sn4\n1.0\n5.373053 -0.000000 0.000000\n-0.000000 8.309004 0.000000\n0.000000 0.000000 10.063290\nSr Sn\n8 4\ndirect\n0.250000 0.479296 0.182992 Sr\n0.750000 0.520703 0.817008 Sr\n0.250000 0.979296 0.317008 Sr\n0.750000 0.020703 0.682992 Sr\n0.750000 0.157914 0.074406 Sr\n0.250000 0.842085 0.925594 Sr\n0.750000 0.657914 0.425594 Sr\n0.250000 0.342085 0.574406 Sr\n0.250000 0.750459 0.605270 Sn\n0.750000 0.249541 0.394730 Sn\n0.250000 0.250459 0.894730 Sn\n0.750000 0.749540 0.105270 Sn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sr",
"Sn"
],
"chemical_system": "Sn-Sr",
"density": 4.345827388130937,
"density_atomic": 0.02670983254876529,
"volume": 449.2727529493524,
"volume_molar": 22.54653131578088,
"formula_full": "Sr8 Sn4",
"formula_reduced": "Sr2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-49693",
"created_at": "2022-09-04T14:37:14.194706Z",
"updated_at": "2022-09-04T14:37:14.194722Z",
"structure_string": "Al4 Fe4 O12\n1.0\n4.852496 -0.000497 -0.000833\n0.000454 4.926671 -0.001774\n0.001159 0.002623 7.258385\nAl Fe O\n4 4 12\ndirect\n0.005165 0.040011 0.749893 Al\n0.505173 0.459996 0.249897 Al\n0.494827 0.540002 0.750104 Al\n0.994835 0.959988 0.250109 Al\n-0.000000 0.500000 0.500001 Fe\n0.500001 -0.000001 0.500001 Fe\n0.500000 -0.000000 0.000000 Fe\n-0.000000 0.500000 0.000000 Fe\n0.360146 0.897058 0.749973 O\n0.860145 0.602940 0.249972 O\n0.333057 0.670327 0.075010 O\n0.833011 0.829644 0.924792 O\n0.166935 0.170323 0.424997 O\n0.833066 0.829676 0.575004 O\n0.666943 0.329671 0.924991 O\n0.166989 0.170355 0.075209 O\n0.639854 0.102941 0.250029 O\n0.333009 0.670357 0.424795 O\n0.666991 0.329642 0.575206 O\n0.139855 0.397059 0.750030 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Al",
"Fe",
"O"
],
"chemical_system": "Al-Fe-O",
"density": 5.007721225528681,
"density_atomic": 0.11525802550846875,
"volume": 173.52370832112226,
"volume_molar": 5.224920983534907,
"formula_full": "Al4 Fe4 O12",
"formula_reduced": "AlFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.1989797600000003,
"spacegroup": 62
},
{
"id": "jvasp-50481",
"created_at": "2022-09-04T14:37:14.425482Z",
"updated_at": "2022-09-04T14:37:14.425508Z",
"structure_string": "Er4 Al4 O12\n1.0\n5.158439 -0.000000 0.000000\n-0.000000 5.363270 0.000000\n0.000000 0.000000 7.379195\nEr Al O\n4 4 12\ndirect\n0.014646 0.940454 0.750000 Er\n0.485355 0.440454 0.750000 Er\n0.514646 0.559546 0.250000 Er\n0.985355 0.059546 0.250000 Er\n0.000000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.798456 0.797204 0.048470 O\n0.701545 0.297204 0.451530 O\n0.701545 0.297204 0.048470 O\n0.592785 0.026583 0.750000 O\n0.407215 0.973417 0.250000 O\n0.201544 0.202796 0.548470 O\n0.298456 0.702796 0.951530 O\n0.201544 0.202796 0.951530 O\n0.798456 0.797204 0.451530 O\n0.092785 0.473417 0.250000 O\n0.298456 0.702796 0.548470 O\n0.907215 0.526583 0.750000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Er",
"Al",
"O"
],
"chemical_system": "Al-Er-O",
"density": 7.881261505470652,
"density_atomic": 0.09796547497526405,
"volume": 204.1535551687973,
"volume_molar": 6.147207229404615,
"formula_full": "Er4 Al4 O12",
"formula_reduced": "ErAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4603866600000002,
"spacegroup": 62
},
{
"id": "jvasp-19472",
"created_at": "2022-09-04T14:37:14.431911Z",
"updated_at": "2022-09-04T14:37:14.431936Z",
"structure_string": "Ca4 Fe4 O12\n1.0\n5.282564 0.000000 0.000000\n-0.000000 5.319242 0.000000\n0.000000 0.000000 7.481903\nCa Fe O\n4 4 12\ndirect\n0.993193 0.037837 0.250000 Ca\n0.493193 0.462163 0.750000 Ca\n0.506806 0.537837 0.250000 Ca\n0.006807 0.962163 0.750000 Ca\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.213339 0.213826 0.966542 O\n0.713339 0.286173 0.033457 O\n0.286661 0.713826 0.966542 O\n0.786660 0.786173 0.033457 O\n0.213339 0.213826 0.533457 O\n0.435818 0.990518 0.250000 O\n0.064182 0.490518 0.250000 O\n0.564182 0.009482 0.750000 O\n0.286661 0.713826 0.533457 O\n0.935817 0.509482 0.750000 O\n0.713339 0.286173 0.466543 O\n0.786660 0.786173 0.466543 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"O"
],
"chemical_system": "Ca-Fe-O",
"density": 4.547024249736587,
"density_atomic": 0.09513129434895638,
"volume": 210.23576034440245,
"volume_molar": 6.330346707898089,
"formula_full": "Ca4 Fe4 O12",
"formula_reduced": "CaFeO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.7279872839999997,
"spacegroup": 62
},
{
"id": "jvasp-4279",
"created_at": "2022-09-04T14:37:14.558687Z",
"updated_at": "2022-09-04T14:37:14.558703Z",
"structure_string": "P4 Br12\n1.0\n6.470598 0.000000 0.000000\n0.000000 7.815455 0.000000\n0.000000 0.000000 10.070020\nP Br\n4 12\ndirect\n0.528710 0.030612 0.250000 P\n0.028710 0.469388 0.750000 P\n0.971290 0.530612 0.250000 P\n0.471290 0.969387 0.750000 P\n0.644266 0.192476 0.078836 Br\n0.144266 0.307524 0.921164 Br\n0.855734 0.692476 0.421164 Br\n0.355734 0.807523 0.578836 Br\n0.355734 0.807523 0.921164 Br\n0.855734 0.692476 0.078836 Br\n0.144266 0.307524 0.578836 Br\n0.644266 0.192476 0.421164 Br\n0.185426 0.091400 0.250000 Br\n0.685426 0.408599 0.750000 Br\n0.314574 0.591400 0.250000 Br\n0.814574 0.908599 0.750000 Br\n",
"nsites": 16,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 3.5305753303056155,
"density_atomic": 0.031418899100029464,
"volume": 509.24763305869607,
"volume_molar": 19.167255799851855,
"formula_full": "P4 Br12",
"formula_reduced": "PBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.59257945375,
"spacegroup": 62
},
{
"id": "jvasp-1100",
"created_at": "2022-09-04T14:37:14.535414Z",
"updated_at": "2022-09-04T14:37:14.535434Z",
"structure_string": "Sb8 Se12\n1.0\n4.041452 0.000000 0.000000\n0.000000 11.596570 0.000000\n0.000000 0.000000 12.061102\nSb Se\n8 12\ndirect\n0.750000 0.039756 0.146774 Sb\n0.250000 0.960244 0.853225 Sb\n0.250000 0.539756 0.353226 Sb\n0.750000 0.460244 0.646774 Sb\n0.250000 0.329858 0.026160 Sb\n0.750000 0.670142 0.973840 Sb\n0.750000 0.829858 0.473840 Sb\n0.250000 0.170142 0.526160 Sb\n0.250000 0.947336 0.371883 Se\n0.750000 0.052664 0.628116 Se\n0.250000 0.304277 0.712554 Se\n0.750000 0.695723 0.287445 Se\n0.750000 0.804277 0.787445 Se\n0.250000 0.868416 0.053756 Se\n0.750000 0.368416 0.446244 Se\n0.250000 0.631584 0.553756 Se\n0.250000 0.552664 0.871883 Se\n0.750000 0.131584 0.946244 Se\n0.250000 0.195723 0.212554 Se\n0.750000 0.447336 0.128116 Se\n",
"nsites": 20,
"nelements": 2,
"elements": [
"Sb",
"Se"
],
"chemical_system": "Sb-Se",
"density": 5.644924248228103,
"density_atomic": 0.03538148252926166,
"volume": 565.2674385099419,
"volume_molar": 17.020600408757574,
"formula_full": "Sb8 Se12",
"formula_reduced": "Sb2Se3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.52104646,
"spacegroup": 62
}
]
}