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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=3407",
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"results": [
{
"id": "jvasp-39189",
"created_at": "2022-09-04T14:38:20.286794Z",
"updated_at": "2022-09-04T14:38:20.286816Z",
"structure_string": "Sb4 S4 I4\n1.0\n4.104378 0.000127 -0.000409\n0.000326 9.418547 0.000045\n0.001629 0.000459 10.268657\nSb S I\n4 4 4\ndirect\n0.755392 0.336408 0.135835 Sb\n0.744531 0.663590 0.635841 Sb\n0.255485 0.163586 0.864164 Sb\n0.244596 0.836408 0.364159 Sb\n0.755764 0.094922 0.026362 S\n0.744226 0.905080 0.526348 S\n0.255729 0.405083 0.973640 S\n0.244285 0.594925 0.473649 S\n0.755917 0.297665 0.666769 I\n0.744195 0.702328 0.166772 I\n0.255815 0.202336 0.333232 I\n0.244077 0.797673 0.833226 I\n",
"nsites": 12,
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"elements": [
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"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 4.6973419918704415,
"density_atomic": 0.030229873638857718,
"volume": 396.95832484642295,
"volume_molar": 19.921157567324702,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8288207916666668,
"spacegroup": 62
},
{
"id": "jvasp-5203",
"created_at": "2022-09-04T14:36:42.901551Z",
"updated_at": "2022-09-04T14:36:42.901575Z",
"structure_string": "Sb4 S4 I4\n1.0\n4.112822 0.000000 0.000000\n0.000000 8.640639 0.000000\n0.000000 0.000000 10.323999\nSb S I\n4 4 4\ndirect\n0.750000 0.119547 0.124087 Sb\n0.750000 0.619547 0.375913 Sb\n0.250000 0.880453 0.875913 Sb\n0.250000 0.380453 0.624087 Sb\n0.750000 0.343693 0.454481 S\n0.250000 0.656307 0.545519 S\n0.250000 0.156307 0.954481 S\n0.750000 0.843693 0.045519 S\n0.750000 0.510755 0.827838 I\n0.250000 0.489245 0.172162 I\n0.750000 0.010755 0.672162 I\n0.250000 0.989245 0.327838 I\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.082335910312657,
"density_atomic": 0.032707512594330614,
"volume": 366.8881870913055,
"volume_molar": 18.412102548708805,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8195774583333334,
"spacegroup": 62
},
{
"id": "jvasp-5197",
"created_at": "2022-09-04T14:36:51.096855Z",
"updated_at": "2022-09-04T14:36:51.096889Z",
"structure_string": "Sb4 S4 I4\n1.0\n3.799951 0.000000 0.000000\n0.000000 6.056321 0.000000\n0.000000 0.000000 17.211588\nSb S I\n4 4 4\ndirect\n0.750254 0.500326 0.358213 Sb\n0.249746 0.000326 0.141787 Sb\n0.250254 -0.000326 0.641787 Sb\n0.749746 0.499674 0.858213 Sb\n0.749761 0.000313 0.046676 S\n0.249761 0.499687 0.953324 S\n0.750239 0.999687 0.546676 S\n0.250239 0.500313 0.453324 S\n0.250013 0.500331 0.174926 I\n0.750013 0.999669 0.825074 I\n0.749987 0.000331 0.325074 I\n0.249987 0.499669 0.674926 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"density": 4.707488531124186,
"density_atomic": 0.030295171971413282,
"volume": 396.1027193152518,
"volume_molar": 19.87821942612681,
"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8593007916666667,
"spacegroup": 59
},
{
"id": "jvasp-30438",
"created_at": "2022-09-04T14:38:05.288454Z",
"updated_at": "2022-09-04T14:38:05.288479Z",
"structure_string": "Sb4 S4 O2\n1.0\n4.080254 0.003675 -0.006750\n-2.050369 10.529085 -0.031492\n-2.029458 -1.717796 5.240102\nSb S O\n4 4 2\ndirect\n0.333452 0.634138 0.030849 Sb\n0.671928 0.366081 0.975952 Sb\n0.268718 0.881874 0.654052 Sb\n0.736667 0.118343 0.352748 Sb\n0.072361 0.913934 0.228952 S\n0.933021 0.086284 0.777851 S\n0.607881 0.699604 0.514395 S\n0.397501 0.300615 0.492405 S\n0.817280 0.570506 0.062189 O\n0.188098 0.429710 0.944613 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.78200650797505,
"density_atomic": 0.04448937077623774,
"volume": 224.77279011869302,
"volume_molar": 13.536133811127065,
"formula_full": "Sb4 S4 O2",
"formula_reduced": "Sb2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86647714,
"spacegroup": 12
},
{
"id": "jvasp-116593",
"created_at": "2022-09-04T14:38:43.257539Z",
"updated_at": "2022-09-04T14:38:43.257558Z",
"structure_string": "Sb4 Se4 Br4\n1.0\n4.053773 -0.000000 0.000000\n0.000000 8.433189 0.000000\n0.000000 -0.000000 10.358953\nSb Se Br\n4 4 4\ndirect\n0.250000 0.619874 0.635635 Sb\n0.750000 0.380126 0.364365 Sb\n0.750000 0.880126 0.135635 Sb\n0.250000 0.119874 0.864365 Sb\n0.250000 0.822113 0.953561 Se\n0.750000 0.177888 0.046438 Se\n0.750000 0.677888 0.453561 Se\n0.250000 0.322113 0.546438 Se\n0.250000 0.520575 0.182635 Br\n0.750000 0.479425 0.817364 Br\n0.750000 0.979425 0.682635 Br\n0.250000 0.020575 0.317364 Br\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-Sb-Se",
"density": 5.263404865042253,
"density_atomic": 0.03388551761621284,
"volume": 354.1335899280608,
"volume_molar": 17.772019386590838,
"formula_full": "Sb4 Se4 Br4",
"formula_reduced": "SbSeBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7032345238888891,
"spacegroup": 62
},
{
"id": "jvasp-5194",
"created_at": "2022-09-04T14:36:31.600966Z",
"updated_at": "2022-09-04T14:36:31.600998Z",
"structure_string": "Sb4 Se4 I4\n1.0\n4.172918 0.000000 0.000000\n0.000000 8.838736 0.000000\n0.000000 0.000000 10.599209\nSb Se I\n4 4 4\ndirect\n0.750000 0.117955 0.129151 Sb\n0.750000 0.617955 0.370849 Sb\n0.250000 0.882045 0.870849 Sb\n0.250000 0.382045 0.629151 Sb\n0.750000 0.333323 0.453052 Se\n0.250000 0.666678 0.546948 Se\n0.250000 0.166677 0.953052 Se\n0.750000 0.833323 0.046948 Se\n0.750000 0.515965 0.826599 I\n0.250000 0.484035 0.173401 I\n0.750000 0.015965 0.673401 I\n0.250000 0.984036 0.326599 I\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Se",
"I"
],
"chemical_system": "I-Sb-Se",
"density": 5.566496640411596,
"density_atomic": 0.030695716641870766,
"volume": 390.93402314091253,
"volume_molar": 19.618830960230607,
"formula_full": "Sb4 Se4 I4",
"formula_reduced": "SbSeI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.680601913888889,
"spacegroup": 62
},
{
"id": "jvasp-110546",
"created_at": "2022-09-04T14:38:37.456095Z",
"updated_at": "2022-09-04T14:38:37.456120Z",
"structure_string": "Sb4 Te3 Se3\n1.0\n10.238774 -0.015413 1.210117\n9.378576 4.107920 1.210117\n0.015239 0.003179 7.287659\nSb Te Se\n4 3 3\ndirect\n0.908399 0.908400 0.702471 Sb\n0.406540 0.406541 0.191742 Sb\n0.588662 0.588663 0.803076 Sb\n0.091551 0.091552 0.302696 Sb\n0.819609 0.819610 0.393205 Te\n0.178005 0.178005 0.610583 Te\n0.678901 0.678902 0.103137 Te\n0.497501 0.497502 0.501298 Se\n0.999031 0.999032 0.000719 Se\n0.331798 0.331799 0.891079 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Se"
],
"chemical_system": "Sb-Se-Te",
"density": 5.976554826595167,
"density_atomic": 0.032521012033803885,
"volume": 307.4935057250225,
"volume_molar": 18.517691742619512,
"formula_full": "Sb4 Te3 Se3",
"formula_reduced": "Sb4(TeSe)3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.5780447800000004,
"spacegroup": 8
},
{
"id": "jvasp-24307",
"created_at": "2022-09-04T14:38:06.237428Z",
"updated_at": "2022-09-04T14:38:06.237455Z",
"structure_string": "Sb4 Te4 Cl4 O12\n1.0\n5.456733 -0.000000 0.000000\n0.000000 7.135830 0.000000\n0.000000 0.000000 11.307374\nSb Te Cl O\n4 4 4 12\ndirect\n0.250000 0.920119 0.752803 Sb\n0.750000 0.079881 0.247197 Sb\n0.750000 0.420119 0.747197 Sb\n0.250000 0.579881 0.252803 Sb\n0.750000 0.826595 0.933329 Te\n0.750000 0.673405 0.433330 Te\n0.250000 0.173405 0.066670 Te\n0.250000 0.326595 0.566670 Te\n0.250000 0.600363 0.926080 Cl\n0.750000 0.399637 0.073920 Cl\n0.750000 0.100363 0.573919 Cl\n0.250000 0.899637 0.426080 Cl\n0.002342 0.499541 0.623365 O\n0.997657 0.999541 0.876635 O\n0.002342 0.000459 0.123365 O\n0.750000 0.797379 0.281809 O\n0.497658 0.499541 0.623365 O\n0.997657 0.500459 0.376635 O\n0.502342 0.500459 0.376635 O\n0.750000 0.702621 0.781808 O\n0.497658 0.000459 0.123365 O\n0.502342 0.999541 0.876635 O\n0.250000 0.202621 0.718191 O\n0.250000 0.297379 0.218191 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Sb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sb-Te",
"density": 5.02074385746874,
"density_atomic": 0.054509510929976364,
"volume": 440.29013635493294,
"volume_molar": 11.047871568204165,
"formula_full": "Sb4 Te4 Cl4 O12",
"formula_reduced": "SbTeClO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 1.6218114056944448,
"spacegroup": 62
},
{
"id": "jvasp-21629",
"created_at": "2022-09-04T14:38:34.315104Z",
"updated_at": "2022-09-04T14:38:34.315129Z",
"structure_string": "Sb4 Te4 Pd4\n1.0\n6.653619 -0.000000 0.000000\n-0.000000 6.653619 0.000000\n-0.000000 0.000000 6.653619\nSb Te Pd\n4 4 4\ndirect\n0.626873 0.626873 0.626873 Sb\n0.873127 0.373127 0.126873 Sb\n0.126873 0.873127 0.373127 Sb\n0.373127 0.126873 0.873127 Sb\n0.373933 0.373933 0.373933 Te\n0.126067 0.626067 0.873933 Te\n0.873933 0.126067 0.626067 Te\n0.626067 0.873933 0.126067 Te\n0.004631 0.004631 0.004631 Pd\n0.495369 0.995369 0.504631 Pd\n0.504631 0.495369 0.995369 Pd\n0.995369 0.504631 0.495369 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Pd"
],
"chemical_system": "Pd-Sb-Te",
"density": 8.022631301218702,
"density_atomic": 0.040738727566094556,
"volume": 294.5600100182606,
"volume_molar": 14.782348688308126,
"formula_full": "Sb4 Te4 Pd4",
"formula_reduced": "SbTePd",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1239565222222223,
"spacegroup": 198
},
{
"id": "jvasp-120506",
"created_at": "2022-09-04T14:38:52.924678Z",
"updated_at": "2022-09-04T14:38:52.924713Z",
"structure_string": "Sb4 Te4 Pt4\n1.0\n6.662989 -0.000000 0.000000\n0.000000 6.662989 0.000000\n0.000000 0.000000 6.662989\nSb Te Pt\n4 4 4\ndirect\n0.127157 0.872843 0.372843 Sb\n0.872843 0.372843 0.127157 Sb\n0.372843 0.127157 0.872843 Sb\n0.627157 0.627157 0.627157 Sb\n0.872690 0.127310 0.627310 Te\n0.127310 0.627310 0.872690 Te\n0.627310 0.872690 0.127310 Te\n0.372690 0.372690 0.372690 Te\n0.506073 0.493927 0.993927 Pt\n0.493927 0.993927 0.506073 Pt\n0.993927 0.506073 0.493927 Pt\n0.006073 0.006073 0.006073 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Te",
"Pt"
],
"chemical_system": "Pt-Sb-Te",
"density": 9.979731283300982,
"density_atomic": 0.04056709949225301,
"volume": 295.8062111956416,
"volume_molar": 14.844888679187015,
"formula_full": "Sb4 Te4 Pt4",
"formula_reduced": "SbTePt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3931050888888894,
"spacegroup": 198
},
{
"id": "jvasp-120505",
"created_at": "2022-09-04T14:38:53.107780Z",
"updated_at": "2022-09-04T14:38:53.107811Z",
"structure_string": "Sb4 Te4 Rh4\n1.0\n6.496760 0.000000 0.000000\n0.000000 6.496760 0.000000\n-0.000000 0.000000 6.496760\nSb Te Rh\n4 4 4\ndirect\n0.127533 0.872467 0.372467 Sb\n0.872467 0.372467 0.127533 Sb\n0.372467 0.127533 0.872467 Sb\n0.627533 0.627533 0.627533 Sb\n0.872997 0.127003 0.627003 Te\n0.127003 0.627003 0.872997 Te\n0.627003 0.872997 0.127003 Te\n0.372997 0.372997 0.372997 Te\n0.502306 0.497694 0.997694 Rh\n0.497694 0.997694 0.502306 Rh\n0.997694 0.502306 0.497694 Rh\n0.002306 0.002306 0.002306 Rh\n",
"nsites": 12,
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"elements": [
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"Rh"
],
"chemical_system": "Rh-Sb-Te",
"density": 8.532744265668722,
"density_atomic": 0.04376135646666866,
"volume": 274.2145346691878,
"volume_molar": 13.761321051797909,
"formula_full": "Sb4 Te4 Rh4",
"formula_reduced": "SbTeRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4454456222222225,
"spacegroup": 198
},
{
"id": "jvasp-111610",
"created_at": "2022-09-04T14:38:40.783068Z",
"updated_at": "2022-09-04T14:38:40.783086Z",
"structure_string": "Sb4 Te4 Ru4\n1.0\n6.616986 0.000000 0.000000\n0.000000 6.114214 2.763224\n0.000000 -0.006256 6.767498\nSb Te Ru\n4 4 4\ndirect\n0.641241 0.859754 0.381849 Sb\n0.141241 0.140245 0.118151 Sb\n0.358760 0.140245 0.618151 Sb\n0.858760 0.859754 0.881849 Sb\n0.364773 0.653803 0.179899 Te\n0.864773 0.346196 0.320101 Te\n0.635228 0.346195 0.820101 Te\n0.135227 0.653803 0.679900 Te\n0.999135 0.723472 0.293515 Ru\n0.499134 0.276527 0.206485 Ru\n0.000866 0.276527 0.706485 Ru\n0.500866 0.723472 0.793515 Ru\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sb",
"Te",
"Ru"
],
"chemical_system": "Ru-Sb-Te",
"density": 8.497672321654528,
"density_atomic": 0.0438097584719153,
"volume": 273.91157629167765,
"volume_molar": 13.746117235183013,
"formula_full": "Sb4 Te4 Ru4",
"formula_reduced": "SbTeRu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.987241455555556,
"spacegroup": 14
}
]
}