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&page=1232",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1230",
"results": [
{
"id": "jvasp-14117",
"created_at": "2022-09-04T14:35:44.567256Z",
"updated_at": "2022-09-04T14:35:44.567290Z",
"structure_string": "Na4 B4 H16\n1.0\n4.239331 0.000000 0.000000\n-0.000000 7.059607 0.000000\n0.000000 0.000000 7.326965\nNa B H\n4 4 16\ndirect\n0.250000 0.250221 0.517411 Na\n0.750000 0.749779 0.482589 Na\n0.750000 0.750222 0.982590 Na\n0.250000 0.249779 0.017411 Na\n0.250000 0.940642 0.765339 B\n0.750000 0.059358 0.234662 B\n0.750000 0.440642 0.734662 B\n0.250000 0.559359 0.265339 B\n0.250000 0.916483 0.598360 H\n0.750000 0.083517 0.401640 H\n0.250000 0.786004 0.840094 H\n0.750000 0.213997 0.159907 H\n0.750000 0.286004 0.659907 H\n0.250000 0.713997 0.340093 H\n0.012870 0.029128 0.807822 H\n0.987130 0.970873 0.192179 H\n0.987130 0.529128 0.692179 H\n0.487130 0.470872 0.307822 H\n0.250000 0.583518 0.098360 H\n0.487130 0.029128 0.807822 H\n0.012870 0.470872 0.307822 H\n0.512870 0.529128 0.692179 H\n0.512870 0.970873 0.192179 H\n0.750000 0.416483 0.901641 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"B",
"H"
],
"chemical_system": "B-H-Na",
"density": 1.1459680162609505,
"density_atomic": 0.1094483636294641,
"volume": 219.28148767259475,
"volume_molar": 5.502266603444043,
"formula_full": "Na4 B4 H16",
"formula_reduced": "NaBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.541220263888889,
"spacegroup": 62
},
{
"id": "jvasp-33758",
"created_at": "2022-09-04T14:37:11.041988Z",
"updated_at": "2022-09-04T14:37:11.042011Z",
"structure_string": "Mn2 H8 O4 F8\n1.0\n0.000000 5.037447 -0.000000\n-6.481744 2.518723 -0.323716\n-0.769279 -2.518723 6.677202\nMn H O F\n2 8 4 8\ndirect\n0.497636 0.749998 0.749997 Mn\n0.497636 0.250001 0.250002 Mn\n0.108045 0.899475 0.415531 H\n0.640367 0.826223 0.109966 H\n0.354893 0.673785 0.390030 H\n0.403284 0.399472 0.915530 H\n0.887223 0.600528 0.084470 H\n0.638648 0.326214 0.609969 H\n0.356625 0.173777 0.890033 H\n0.591988 0.100525 0.584468 H\n0.515109 0.246371 0.523732 O\n0.480159 0.253625 0.976262 O\n0.237746 0.753628 0.476267 O\n0.757521 0.746374 0.023738 O\n0.908013 0.121198 0.334574 F\n0.457496 0.999146 0.225480 F\n0.694637 0.878801 0.665425 F\n0.300628 0.621188 0.834546 F\n0.537779 0.500858 0.274537 F\n0.764101 0.499141 0.725462 F\n0.087269 0.378811 0.165453 F\n0.231161 0.000853 0.774520 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mn",
"H",
"O",
"F"
],
"chemical_system": "F-H-Mn-O",
"density": 2.5287663135904817,
"density_atomic": 0.10033075497596763,
"volume": 219.27473789337768,
"volume_molar": 6.002287894118301,
"formula_full": "Mn2 H8 O4 F8",
"formula_reduced": "MnH4(OF2)2",
"formula_anonymous": "AB2C4D4",
"energy_above_hull": 1.911128670125392,
"spacegroup": 15
},
{
"id": "jvasp-42666",
"created_at": "2022-09-04T14:35:57.869419Z",
"updated_at": "2022-09-04T14:35:57.869442Z",
"structure_string": "Li3 Sb1 S4\n1.0\n6.030143 0.000000 0.000000\n-0.000000 6.030143 0.000000\n-0.000000 0.000000 6.030143\nLi Sb S\n3 1 4\ndirect\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Sb\n0.225847 0.225847 0.225847 S\n0.225847 0.774153 0.774153 S\n0.774153 0.225847 0.774153 S\n0.774153 0.774153 0.225847 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.0510860433710203,
"density_atomic": 0.036484395368003804,
"volume": 219.2718261960253,
"volume_molar": 16.506072525683997,
"formula_full": "Li3 Sb1 S4",
"formula_reduced": "Li3SbS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.5391595125000002,
"spacegroup": 215
},
{
"id": "jvasp-91652",
"created_at": "2022-09-04T14:36:12.959279Z",
"updated_at": "2022-09-04T14:36:12.959306Z",
"structure_string": "Eu2 Tl6\n1.0\n0.000000 -0.000000 -5.420284\n-3.417085 -5.919272 0.000000\n-3.417085 5.919272 -0.000000\nEu Tl\n2 6\ndirect\n0.749999 0.666730 0.333268 Eu\n0.250000 0.333268 0.666730 Eu\n0.749999 0.165892 0.331604 Tl\n0.749999 0.165864 0.834135 Tl\n0.749999 0.668394 0.834106 Tl\n0.250000 0.834106 0.668394 Tl\n0.250000 0.834135 0.165864 Tl\n0.250000 0.331604 0.165892 Tl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"Tl"
],
"chemical_system": "Eu-Tl",
"density": 11.588549178573619,
"density_atomic": 0.036484959628452655,
"volume": 219.26843503374008,
"volume_molar": 16.505817249976225,
"formula_full": "Eu2 Tl6",
"formula_reduced": "EuTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-34498",
"created_at": "2022-09-04T14:37:17.775904Z",
"updated_at": "2022-09-04T14:37:17.775924Z",
"structure_string": "Ba4 F8\n1.0\n4.064766 -0.000000 0.000000\n-0.000000 6.739304 0.000000\n0.000000 0.000000 8.004328\nBa F\n4 8\ndirect\n0.750001 0.748945 0.383342 Ba\n0.250000 0.751054 0.883342 Ba\n0.250000 0.251054 0.616658 Ba\n0.750001 0.248945 0.116658 Ba\n0.250000 0.530953 0.170824 F\n0.250000 0.142631 0.930621 F\n0.750001 0.469046 0.829176 F\n0.750001 0.857369 0.069379 F\n0.750001 0.969046 0.670824 F\n0.750001 0.357369 0.430621 F\n0.250000 0.642631 0.569379 F\n0.250000 0.030954 0.329176 F\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ba",
"F"
],
"chemical_system": "Ba-F",
"density": 5.310978050015172,
"density_atomic": 0.05472752056593694,
"volume": 219.26811000951764,
"volume_molar": 11.003861855470667,
"formula_full": "Ba4 F8",
"formula_reduced": "BaF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0014100000000001,
"spacegroup": 62
},
{
"id": "jvasp-10335",
"created_at": "2022-09-04T14:37:27.649597Z",
"updated_at": "2022-09-04T14:37:27.649605Z",
"structure_string": "Mg2 Mo4 O10\n1.0\n3.807287 -0.000060 0.000000\n-1.903738 5.198301 0.000000\n0.000000 0.000000 11.078189\nMg Mo O\n2 4 10\ndirect\n0.867642 0.734552 0.750000 Mg\n0.132359 0.265449 0.250000 Mg\n0.177860 0.355248 0.595539 Mo\n0.822141 0.644753 0.404460 Mo\n0.822141 0.644753 0.095540 Mo\n0.177860 0.355248 0.904461 Mo\n0.706322 0.413481 0.250000 O\n0.293679 0.586520 0.750000 O\n0.247093 0.494747 0.079117 O\n0.752909 0.505253 0.920883 O\n0.752909 0.505253 0.579117 O\n0.247093 0.494747 0.420882 O\n0.014754 0.028614 0.626505 O\n0.985246 0.971385 0.373495 O\n0.014754 0.028614 0.873496 O\n0.985246 0.971385 0.126506 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 4.486363429826699,
"density_atomic": 0.07297543290076895,
"volume": 219.2518682521088,
"volume_molar": 8.252285078169841,
"formula_full": "Mg2 Mo4 O10",
"formula_reduced": "MgMo2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 3.12571104375,
"spacegroup": 63
},
{
"id": "jvasp-50971",
"created_at": "2022-09-04T14:37:02.047804Z",
"updated_at": "2022-09-04T14:37:02.047828Z",
"structure_string": "Yb4 Ti4 O12\n1.0\n5.307086 0.000000 0.000000\n0.000000 5.454641 0.000000\n0.000000 0.000000 7.573853\nYb Ti O\n4 4 12\ndirect\n0.987226 0.447073 0.750000 Yb\n0.512775 0.947073 0.750000 Yb\n0.487226 0.052927 0.250000 Yb\n0.012774 0.552927 0.250000 Yb\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.795881 0.705309 0.546174 O\n0.704120 0.205309 0.546174 O\n0.704120 0.205309 0.953826 O\n0.587867 0.476232 0.250000 O\n0.412134 0.523767 0.750000 O\n0.204120 0.294691 0.046174 O\n0.295880 0.794691 0.453826 O\n0.204120 0.294691 0.453826 O\n0.795881 0.705309 0.953826 O\n0.087866 0.023767 0.750000 O\n0.295880 0.794691 0.046174 O\n0.912135 0.976232 0.250000 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Yb",
"Ti",
"O"
],
"chemical_system": "O-Ti-Yb",
"density": 8.14646357061502,
"density_atomic": 0.09122015925205176,
"volume": 219.24978167093204,
"volume_molar": 6.601765234108104,
"formula_full": "Yb4 Ti4 O12",
"formula_reduced": "YbTiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.4668599066666663,
"spacegroup": 62
},
{
"id": "jvasp-112660",
"created_at": "2022-09-04T14:38:43.051610Z",
"updated_at": "2022-09-04T14:38:43.051635Z",
"structure_string": "Na2 Tm2 Ti4 O12\n1.0\n5.266078 -0.000000 0.000000\n0.000000 5.505642 0.000000\n-0.000000 -0.000000 7.562058\nNa Tm Ti O\n2 2 4 12\ndirect\n0.493964 0.712817 0.500000 Na\n0.993964 0.287182 -0.000000 Na\n0.018460 0.174672 0.500000 Tm\n0.518460 0.825328 -0.000000 Tm\n0.511443 0.265312 0.752371 Ti\n0.011443 0.734688 0.252371 Ti\n0.511443 0.265312 0.247629 Ti\n0.011443 0.734688 0.747629 Ti\n0.609625 0.278749 0.500000 O\n0.917687 0.777104 0.500000 O\n0.282665 0.961430 0.706597 O\n0.186025 0.440265 0.306013 O\n0.686025 0.559735 0.193987 O\n0.282665 0.961430 0.293404 O\n0.686025 0.559735 0.806013 O\n0.782665 0.038569 0.206597 O\n0.109625 0.721251 -0.000000 O\n0.186025 0.440265 0.693987 O\n0.782665 0.038569 0.793404 O\n0.417687 0.222895 -0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Na",
"Tm",
"Ti",
"O"
],
"chemical_system": "Na-O-Ti-Tm",
"density": 5.811443142896084,
"density_atomic": 0.09122098046431909,
"volume": 219.24780788585102,
"volume_molar": 6.601705802050165,
"formula_full": "Na2 Tm2 Ti4 O12",
"formula_reduced": "NaTmTi2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.3970560916666663,
"spacegroup": 31
},
{
"id": "jvasp-123851",
"created_at": "2022-09-04T14:38:54.583820Z",
"updated_at": "2022-09-04T14:38:54.583847Z",
"structure_string": "Sr1 Bi5\n1.0\n2.283295 -3.954793 0.000000\n2.283295 3.954793 -0.000000\n-0.000000 -0.000000 12.139996\nSr Bi\n1 5\ndirect\n0.000000 0.000000 0.249992 Sr\n0.666665 0.333332 0.067058 Bi\n0.666665 0.333332 0.585339 Bi\n0.333332 0.666665 0.432941 Bi\n0.333332 0.666665 0.914662 Bi\n0.000000 0.000000 0.750008 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Bi"
],
"chemical_system": "Bi-Sr",
"density": 8.577513751032745,
"density_atomic": 0.02736635325269036,
"volume": 219.24733429398913,
"volume_molar": 22.005638472886297,
"formula_full": "Sr1 Bi5",
"formula_reduced": "SrBi5",
"formula_anonymous": "AB5",
"energy_above_hull": null,
"spacegroup": 164
},
{
"id": "jvasp-9649",
"created_at": "2022-09-04T14:37:27.813892Z",
"updated_at": "2022-09-04T14:37:27.813913Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.731493 0.001119 -0.000081\n-0.001472 5.105427 0.003113\n0.000190 -0.012809 11.508467\nCa Sn O\n2 4 10\ndirect\n0.252142 0.778173 0.750213 Ca\n0.752127 0.225033 0.250246 Ca\n0.752157 0.309954 0.915097 Sn\n0.252140 0.693231 0.085355 Sn\n0.252107 0.693479 0.415298 Sn\n0.752123 0.309751 0.585151 Sn\n0.252126 0.542369 0.250296 O\n0.752134 0.460839 0.750161 O\n0.252149 0.492547 0.923361 O\n0.752141 0.510622 0.077093 O\n0.252115 0.492429 0.577088 O\n0.752106 0.510817 0.423366 O\n0.752091 -0.064057 0.615171 O\n0.252076 0.067303 0.385315 O\n0.252164 0.067070 0.115407 O\n0.752181 -0.063901 0.885081 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.415225597008053,
"density_atomic": 0.07297724623529231,
"volume": 219.2464202939777,
"volume_molar": 8.25208002585284,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.568134895833333,
"spacegroup": 59
},
{
"id": "jvasp-9159",
"created_at": "2022-09-04T14:37:18.901473Z",
"updated_at": "2022-09-04T14:37:18.901499Z",
"structure_string": "Ga4 S6\n1.0\n6.443525 0.000000 0.000000\n-3.221762 4.791811 -2.895101\n0.000000 0.018820 7.089062\nGa S\n4 6\ndirect\n0.134869 0.405312 0.619739 Ga\n0.270442 0.405312 0.119739 Ga\n0.446198 0.087641 0.627969 Ga\n0.641442 0.087640 0.127969 Ga\n0.436464 0.680910 0.504574 S\n0.244446 0.680910 0.004574 S\n0.760499 0.355390 0.511867 S\n0.594891 0.355390 0.011868 S\n0.911236 -0.007252 0.984850 S\n0.081511 -0.007252 0.484850 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ga",
"S"
],
"chemical_system": "Ga-S",
"density": 3.56961964046406,
"density_atomic": 0.04561335239190969,
"volume": 219.23405046136605,
"volume_molar": 13.202583112632894,
"formula_full": "Ga4 S6",
"formula_reduced": "Ga2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 0.87824493,
"spacegroup": 9
},
{
"id": "jvasp-52831",
"created_at": "2022-09-04T14:36:31.558602Z",
"updated_at": "2022-09-04T14:36:31.558630Z",
"structure_string": "Na2 H6 C4 O10\n1.0\n-5.719917 0.013985 0.016171\n2.216218 5.925045 0.004801\n-0.550811 -1.592369 -6.464231\nNa H C O\n2 6 4 10\ndirect\n0.759066 0.753786 0.972901 Na\n0.240935 0.246216 0.027099 Na\n0.232017 0.799742 0.766040 H\n0.767984 0.200260 0.233960 H\n0.254786 0.776300 -0.003117 H\n0.745214 0.223702 0.003118 H\n0.992726 0.743824 0.393426 H\n0.007274 0.256177 0.606574 H\n0.597780 0.277219 0.642329 C\n0.402221 0.722783 0.357671 C\n0.646995 0.742167 0.458782 C\n0.353006 0.257835 0.541218 C\n0.180639 0.843762 0.911139 O\n0.659596 0.756321 0.644616 O\n0.340404 0.243680 0.355384 O\n0.828655 0.735633 0.325486 O\n0.171346 0.264368 0.674514 O\n0.387083 0.667215 0.163246 O\n0.612917 0.332787 0.836755 O\n0.235233 0.761871 0.483177 O\n0.764767 0.238131 0.516823 O\n0.819362 0.156240 0.088861 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"H",
"C",
"O"
],
"chemical_system": "C-H-Na-O",
"density": 1.969832303336295,
"density_atomic": 0.10035121527769506,
"volume": 219.23003063909994,
"volume_molar": 6.001064106035329,
"formula_full": "Na2 H6 C4 O10",
"formula_reduced": "NaH3C2O5",
"formula_anonymous": "AB2C3D5",
"energy_above_hull": 3.3098178636363635,
"spacegroup": 2
}
]
}