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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1238",
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"results": [
{
"id": "jvasp-113730",
"created_at": "2022-09-04T14:38:48.916572Z",
"updated_at": "2022-09-04T14:38:48.916588Z",
"structure_string": "Sb1 Te1 O1\n1.0\n3.308844 -0.100010 0.000000\n-1.443550 6.896296 0.000000\n0.000000 0.000000 3.121086\nSb Te O\n1 1 1\ndirect\n-0.040877 0.251481 0.000000 Sb\n0.669567 0.673165 0.000000 Te\n0.371310 0.075355 0.000000 O\n",
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"volume": 70.76874680018295,
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"formula_full": "Sb1 Te1 O1",
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"spacegroup": 38
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{
"id": "jvasp-8670",
"created_at": "2022-09-04T14:36:52.566235Z",
"updated_at": "2022-09-04T14:36:52.566255Z",
"structure_string": "Sb2 Te2 I2\n1.0\n4.282476 0.000127 -0.000345\n-2.140743 6.947513 -0.092674\n-2.137393 -1.030896 7.342200\nSb Te I\n2 2 2\ndirect\n0.378346 0.511919 0.245405 Sb\n0.621656 0.488080 0.754595 Sb\n0.077804 0.252176 0.903149 Te\n0.922198 0.747823 0.096851 Te\n0.783578 0.202467 0.365059 I\n0.216424 0.797532 0.634940 I\n",
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],
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"volume": 218.03622984591368,
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"formula_full": "Sb2 Te2 I2",
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"formula_anonymous": "ABC",
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"spacegroup": 12
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{
"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,
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"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-32106",
"created_at": "2022-09-04T14:38:08.475243Z",
"updated_at": "2022-09-04T14:38:08.475268Z",
"structure_string": "Sb2 Te4 F12\n1.0\n5.440668 -0.027448 -0.022558\n-1.901556 7.282081 3.895261\n0.192086 -9.003222 3.859273\nSb Te F\n2 4 12\ndirect\n0.387183 0.833659 0.176463 Sb\n0.612817 0.166340 0.823536 Sb\n0.057150 0.323482 0.263503 Te\n0.162563 0.357563 0.552879 Te\n0.837437 0.642436 0.447120 Te\n0.942850 0.676518 0.736496 Te\n0.582490 0.073109 0.399390 F\n0.552547 0.357033 0.792826 F\n0.685792 0.826623 0.067332 F\n0.681226 0.974518 0.855810 F\n0.318774 0.025481 0.144189 F\n0.417510 0.926890 0.600609 F\n0.447453 0.642966 0.207173 F\n0.818794 0.389770 0.049340 F\n0.181206 0.610229 0.950660 F\n0.087798 0.854240 0.288227 F\n0.314208 0.173376 0.932667 F\n0.912202 0.145759 0.711772 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sb",
"Te",
"F"
],
"chemical_system": "F-Sb-Te",
"density": 4.751811296587262,
"density_atomic": 0.052458390593846216,
"volume": 343.12909329154184,
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"formula_full": "Sb2 Te4 F12",
"formula_reduced": "SbTe2F6",
"formula_anonymous": "AB2C6",
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"spacegroup": 2
},
{
"id": "jvasp-106749",
"created_at": "2022-09-04T14:36:55.288501Z",
"updated_at": "2022-09-04T14:36:55.288526Z",
"structure_string": "Sb1 Te1\n1.0\n3.687049 -0.250155 2.563594\n1.205484 3.493382 2.563594\n-0.377369 -0.250155 4.474812\nSb Te\n1 1\ndirect\n0.500000 0.499998 0.500000 Sb\n0.000000 0.000000 0.000000 Te\n",
"nsites": 2,
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"elements": [
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],
"chemical_system": "Sb-Te",
"density": 6.44980058822094,
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"volume": 64.19919747652078,
"volume_molar": 19.33083019413225,
"formula_full": "Sb1 Te1",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.8407719333333336,
"spacegroup": 225
},
{
"id": "jvasp-10173",
"created_at": "2022-09-04T14:37:18.649194Z",
"updated_at": "2022-09-04T14:37:18.649221Z",
"structure_string": "Sb6 Te6\n1.0\n2.179274 -3.774614 0.000000\n2.179274 3.774614 -0.000000\n-0.000000 0.000000 24.256050\nSb Te\n6 6\ndirect\n0.000000 0.000000 0.872047 Sb\n0.000000 0.000000 0.127953 Sb\n0.333332 0.666666 0.708078 Sb\n0.666666 0.333332 0.291922 Sb\n0.333332 0.666666 0.467938 Sb\n0.666666 0.333332 0.532062 Sb\n0.333332 0.666666 0.942373 Te\n0.666666 0.333332 0.057627 Te\n0.333332 0.666666 0.210241 Te\n0.666666 0.333332 0.789759 Te\n0.000000 0.000000 0.637300 Te\n0.000000 0.000000 0.362700 Te\n",
"nsites": 12,
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"elements": [
"Sb",
"Te"
],
"chemical_system": "Sb-Te",
"density": 6.225764351871024,
"density_atomic": 0.030070924990787663,
"volume": 399.05656389606384,
"volume_molar": 20.026456658200253,
"formula_full": "Sb6 Te6",
"formula_reduced": "SbTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.7861019333333336,
"spacegroup": 164
},
{
"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,
"nelements": 3,
"elements": [
"Sb",
"S",
"I"
],
"chemical_system": "I-S-Sb",
"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,
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"elements": [
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],
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"density": 4.707488531124186,
"density_atomic": 0.030295171971413282,
"volume": 396.1027193152518,
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"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
"energy_above_hull": 0.8593007916666667,
"spacegroup": 59
},
{
"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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"density": 4.6973419918704415,
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"volume": 396.95832484642295,
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"formula_full": "Sb4 S4 I4",
"formula_reduced": "SbSI",
"formula_anonymous": "ABC",
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"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,
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],
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"density_atomic": 0.030695716641870766,
"volume": 390.93402314091253,
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"formula_full": "Sb4 Se4 I4",
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"spacegroup": 62
},
{
"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,
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"elements": [
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],
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"volume": 354.1335899280608,
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"formula_full": "Sb4 Se4 Br4",
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"spacegroup": 62
},
{
"id": "jvasp-123706",
"created_at": "2022-09-04T14:38:55.131011Z",
"updated_at": "2022-09-04T14:38:55.131035Z",
"structure_string": "Sb1 Se2\n1.0\n1.972763 -3.401294 -0.050296\n1.959227 3.393480 -0.000000\n0.008821 -0.005093 5.986117\nSb Se\n1 2\ndirect\n0.000000 0.333279 0.166667 Sb\n0.671383 0.669053 0.451186 Se\n0.328615 -0.002331 0.882147 Se\n",
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"formula_full": "Sb1 Se2",
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"formula_anonymous": "AB2",
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"spacegroup": 164
}
]
}