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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3405",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3403",
"results": [
{
"id": "jvasp-30325",
"created_at": "2022-09-04T14:38:02.112093Z",
"updated_at": "2022-09-04T14:38:02.112103Z",
"structure_string": "Sb4 P4 O16\n1.0\n6.804726 0.000000 0.000000\n0.000000 9.415235 0.000000\n-0.000000 0.000000 5.074818\nSb P O\n4 4 16\ndirect\n0.250000 0.338574 0.679331 Sb\n0.250000 0.838573 0.820669 Sb\n0.750000 0.161426 0.179331 Sb\n0.750000 0.661426 0.320669 Sb\n0.250000 0.108487 0.203725 P\n0.250000 0.608487 0.296275 P\n0.750000 0.391513 0.703725 P\n0.750000 0.891513 0.796276 P\n0.750000 0.856874 0.494084 O\n0.750000 0.356874 0.005916 O\n0.750000 0.056149 0.810456 O\n0.750000 0.556148 0.689545 O\n0.568487 0.328175 0.564973 O\n0.568487 0.828175 0.935028 O\n0.431514 0.671824 0.435027 O\n0.250000 0.443851 0.310456 O\n0.250000 0.643126 -0.005916 O\n0.250000 0.943851 0.189544 O\n0.931514 0.328175 0.564973 O\n0.250000 0.143126 0.505916 O\n0.068487 0.671824 0.435027 O\n0.068487 0.171824 0.064973 O\n0.431514 0.171824 0.064973 O\n0.931514 0.828175 0.935028 O\n",
"nsites": 24,
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"elements": [
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],
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"density": 4.427601955631829,
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"volume": 325.13391868991476,
"volume_molar": 8.158342600837758,
"formula_full": "Sb4 P4 O16",
"formula_reduced": "SbPO4",
"formula_anonymous": "ABC4",
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"spacegroup": 62
},
{
"id": "jvasp-45602",
"created_at": "2022-09-04T14:37:00.320107Z",
"updated_at": "2022-09-04T14:37:00.320128Z",
"structure_string": "Sb4 P4 O20\n1.0\n6.763458 -0.017987 -1.487377\n-3.595593 5.728559 -1.487377\n0.085467 0.154069 9.042150\nSb P O\n4 4 20\ndirect\n0.869700 0.619628 0.250030 Sb\n0.369599 0.619668 0.749970 Sb\n0.869668 0.119597 0.249969 Sb\n0.869629 0.619699 0.750030 Sb\n0.031347 0.031354 0.573411 P\n0.707935 0.207942 0.926588 P\n0.457943 0.457935 0.426588 P\n0.281355 0.781346 0.073411 P\n0.489929 0.969540 0.818613 O\n0.921315 0.900926 0.681386 O\n0.134132 0.846583 0.962822 O\n0.642753 0.355134 0.037251 O\n0.883760 0.171306 0.037178 O\n0.855502 0.067882 0.462748 O\n0.249307 0.269813 0.681344 O\n0.096584 0.884131 0.462822 O\n0.150927 0.671314 0.181386 O\n0.421308 0.633760 0.537178 O\n0.820078 0.819985 0.150761 O\n0.069986 0.570077 0.650762 O\n0.519813 0.999306 0.181344 O\n0.219540 0.239928 0.318614 O\n0.817963 0.338467 0.818655 O\n0.317883 0.605501 0.962748 O\n0.669225 0.669315 0.849238 O\n0.588468 0.567962 0.318655 O\n0.919316 0.419224 0.349238 O\n0.605135 0.392753 0.537251 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"P",
"O"
],
"chemical_system": "O-P-Sb",
"density": 4.3809143627763545,
"density_atomic": 0.07935237229826753,
"volume": 352.8564955154002,
"volume_molar": 7.5891124431216035,
"formula_full": "Sb4 P4 O20",
"formula_reduced": "SbPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.4561870142857143,
"spacegroup": 70
},
{
"id": "jvasp-10554",
"created_at": "2022-09-04T14:37:01.301860Z",
"updated_at": "2022-09-04T14:37:01.301880Z",
"structure_string": "Sb2 P2 O10\n1.0\n5.096677 -0.013373 -1.493411\n-1.374557 4.907839 -1.493411\n0.002852 0.003750 7.104310\nSb P O\n2 2 10\ndirect\n-0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n0.332933 0.667067 0.250000 P\n0.667067 0.332933 0.750000 P\n0.260580 0.375475 0.093354 O\n0.624525 0.739420 0.406646 O\n0.739420 0.624526 0.906646 O\n0.375475 0.260580 0.593354 O\n0.095877 0.904123 0.750000 O\n0.904123 0.095878 0.250000 O\n0.128514 0.681433 0.368895 O\n0.318567 0.871486 0.131105 O\n0.871486 0.318568 0.631105 O\n0.681433 0.128515 0.868895 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sb",
"P",
"O"
],
"chemical_system": "O-P-Sb",
"density": 4.351239188525558,
"density_atomic": 0.07881485997089283,
"volume": 177.63147717537467,
"volume_molar": 7.640869706834525,
"formula_full": "Sb2 P2 O10",
"formula_reduced": "SbPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.450439871428572,
"spacegroup": 15
},
{
"id": "jvasp-27720",
"created_at": "2022-09-04T14:38:09.008107Z",
"updated_at": "2022-09-04T14:38:09.008120Z",
"structure_string": "Sb4 P4 O20\n1.0\n6.763458 -0.017986 -1.487377\n-3.595593 5.728559 -1.487377\n0.085467 0.154069 9.042150\nSb P O\n4 4 20\ndirect\n0.869700 0.619628 0.250030 Sb\n0.369599 0.619668 0.749970 Sb\n0.869668 0.119597 0.249969 Sb\n0.869629 0.619699 0.750030 Sb\n0.031347 0.031354 0.573411 P\n0.707935 0.207942 0.926588 P\n0.457943 0.457935 0.426588 P\n0.281355 0.781346 0.073411 P\n0.489929 0.969540 0.818613 O\n0.921315 0.900926 0.681386 O\n0.134132 0.846583 0.962822 O\n0.642753 0.355134 0.037251 O\n0.883760 0.171306 0.037178 O\n0.855502 0.067882 0.462748 O\n0.249307 0.269813 0.681344 O\n0.096584 0.884131 0.462822 O\n0.150927 0.671314 0.181386 O\n0.421308 0.633760 0.537178 O\n0.820078 0.819985 0.150761 O\n0.069986 0.570077 0.650762 O\n0.519813 0.999306 0.181344 O\n0.219540 0.239928 0.318614 O\n0.817963 0.338467 0.818655 O\n0.317883 0.605501 0.962748 O\n0.669225 0.669315 0.849238 O\n0.588468 0.567962 0.318655 O\n0.919316 0.419224 0.349238 O\n0.605135 0.392753 0.537251 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sb",
"P",
"O"
],
"chemical_system": "O-P-Sb",
"density": 4.380913960701031,
"density_atomic": 0.0793523650153973,
"volume": 352.85652790016985,
"volume_molar": 7.58911313964175,
"formula_full": "Sb4 P4 O20",
"formula_reduced": "SbPO5",
"formula_anonymous": "ABC5",
"energy_above_hull": 2.4561870142857143,
"spacegroup": 70
},
{
"id": "jvasp-32420",
"created_at": "2022-09-04T14:38:06.397150Z",
"updated_at": "2022-09-04T14:38:06.397179Z",
"structure_string": "Sb2 P2 O4 F12\n1.0\n5.317889 -0.042446 1.206377\n0.752854 7.301129 0.221783\n-0.103560 0.090711 7.270997\nSb P O F\n2 2 4 12\ndirect\n0.580909 0.238869 0.749545 Sb\n0.419091 0.761130 0.250455 Sb\n0.226600 0.194427 0.168394 P\n0.773400 0.805572 0.831607 P\n0.559011 0.726457 0.968191 O\n0.784458 0.010448 0.828889 O\n0.440988 0.273542 0.031810 O\n0.215541 0.989552 0.171111 O\n0.684452 0.914145 0.244072 F\n0.315548 0.085855 0.755928 F\n0.150710 0.628195 0.219343 F\n0.849290 0.371804 0.780658 F\n0.616810 0.547490 0.304575 F\n0.236038 0.259944 0.364100 F\n0.726679 0.183295 0.495885 F\n0.026073 0.719179 0.868774 F\n0.763961 0.740056 0.635901 F\n0.383189 0.452510 0.695425 F\n0.273321 0.816705 0.504115 F\n0.973926 0.280820 0.131226 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sb",
"P",
"O",
"F"
],
"chemical_system": "F-O-P-Sb",
"density": 3.500286315322511,
"density_atomic": 0.0705644300072968,
"volume": 283.4289173445017,
"volume_molar": 8.534244178514973,
"formula_full": "Sb2 P2 O4 F12",
"formula_reduced": "SbP(OF3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.7898790295000003,
"spacegroup": 2
},
{
"id": "jvasp-15082",
"created_at": "2022-09-04T14:36:10.016257Z",
"updated_at": "2022-09-04T14:36:10.016282Z",
"structure_string": "Sb2 Pt2\n1.0\n2.115280 -3.663774 -0.000000\n2.115280 3.663774 0.000000\n0.000000 -0.000000 5.573386\nSb Pt\n2 2\ndirect\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
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"elements": [
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb",
"density": 12.180887243453533,
"density_atomic": 0.046303554801173756,
"volume": 86.38645601133422,
"volume_molar": 13.005784946445072,
"formula_full": "Sb2 Pt2",
"formula_reduced": "SbPt",
"formula_anonymous": "AB",
"energy_above_hull": 1.2221537500000004,
"spacegroup": 194
},
{
"id": "jvasp-107476",
"created_at": "2022-09-04T14:36:57.304030Z",
"updated_at": "2022-09-04T14:36:57.304059Z",
"structure_string": "Sb2 Pt6\n1.0\n5.680348 -0.000000 0.000000\n-2.840174 4.919326 0.000000\n-0.000000 -0.000000 4.994306\nSb Pt\n2 6\ndirect\n0.333334 0.666667 0.750001 Sb\n0.666667 0.333334 0.250000 Sb\n0.165487 0.330974 0.250000 Pt\n0.669028 0.834514 0.250000 Pt\n0.165488 0.834514 0.250000 Pt\n0.834514 0.669027 0.750001 Pt\n0.330974 0.165487 0.750001 Pt\n0.834514 0.165487 0.750001 Pt\n",
"nsites": 8,
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"elements": [
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],
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"density": 16.824810572678015,
"density_atomic": 0.05732371024198611,
"volume": 139.55830783159058,
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"formula_full": "Sb2 Pt6",
"formula_reduced": "SbPt3",
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"energy_above_hull": 2.344922575,
"spacegroup": 194
},
{
"id": "jvasp-91620",
"created_at": "2022-09-04T14:35:50.562428Z",
"updated_at": "2022-09-04T14:35:50.562444Z",
"structure_string": "Sb2 Pt6\n1.0\n3.987085 0.000000 -0.000000\n0.000000 3.987085 -0.000000\n-1.993543 -1.993543 8.766616\nSb Pt\n2 6\ndirect\n0.863581 0.863581 0.727159 Sb\n0.136421 0.136421 0.272842 Sb\n0.500001 0.000000 0.000000 Pt\n0.000000 0.500001 0.000000 Pt\n0.250001 0.750001 0.500000 Pt\n0.750001 0.250001 0.500000 Pt\n0.612554 0.612554 0.225106 Pt\n0.387448 0.387448 0.774894 Pt\n",
"nsites": 8,
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"elements": [
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"density": 16.84856452973375,
"density_atomic": 0.05740464220526032,
"volume": 139.36155148210145,
"volume_molar": 10.49068599446502,
"formula_full": "Sb2 Pt6",
"formula_reduced": "SbPt3",
"formula_anonymous": "AB3",
"energy_above_hull": 2.327932575,
"spacegroup": 139
},
{
"id": "jvasp-39226",
"created_at": "2022-09-04T14:37:53.876845Z",
"updated_at": "2022-09-04T14:37:53.876866Z",
"structure_string": "Sb1 Pt3\n1.0\n-2.016752 2.016752 4.271980\n2.016752 -2.016752 4.271980\n2.016752 2.016752 -4.271980\nSb Pt\n1 3\ndirect\n0.000000 0.000000 0.000000 Sb\n0.750001 0.250000 0.500000 Pt\n0.250000 0.750001 0.500000 Pt\n0.500001 0.500001 0.000000 Pt\n",
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"volume": 69.50150271787399,
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"formula_full": "Sb1 Pt3",
"formula_reduced": "SbPt3",
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"spacegroup": 139
},
{
"id": "jvasp-39225",
"created_at": "2022-09-04T14:37:53.280184Z",
"updated_at": "2022-09-04T14:37:53.280204Z",
"structure_string": "Sb1 Pt3\n1.0\n0.000000 3.264369 3.264369\n3.264369 -0.000000 3.264369\n3.264369 3.264369 0.000000\nSb Pt\n1 3\ndirect\n0.750000 0.750000 0.750000 Sb\n0.000000 0.000000 0.000000 Pt\n0.500001 0.500001 0.500001 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 4,
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"volume": 69.5709174376215,
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"formula_full": "Sb1 Pt3",
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"spacegroup": 225
},
{
"id": "jvasp-19599",
"created_at": "2022-09-04T14:37:46.568859Z",
"updated_at": "2022-09-04T14:37:46.568889Z",
"structure_string": "Sb1 Pt7\n1.0\n4.940621 0.000000 2.852469\n1.646874 4.658062 2.852469\n0.000000 0.000000 5.704936\nSb Pt\n1 7\ndirect\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500001 Pt\n0.500000 -0.000000 0.000000 Pt\n-0.000000 -0.000000 0.500000 Pt\n0.500000 0.500000 0.000001 Pt\n-0.000000 0.500000 0.500001 Pt\n-0.000000 0.500000 0.000000 Pt\n0.500000 -0.000000 0.500000 Pt\n",
"nsites": 8,
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"density": 18.811529577578902,
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"volume": 131.29179365473198,
"volume_molar": 9.883220775270885,
"formula_full": "Sb1 Pt7",
"formula_reduced": "SbPt7",
"formula_anonymous": "AB7",
"energy_above_hull": 2.8991532375,
"spacegroup": 225
},
{
"id": "jvasp-3954",
"created_at": "2022-09-04T14:36:32.081439Z",
"updated_at": "2022-09-04T14:36:32.081462Z",
"structure_string": "S4 Br4\n1.0\n4.128657 -0.023034 0.000000\n-1.064000 3.989266 0.000000\n0.000000 0.000000 13.989125\nS Br\n4 4\ndirect\n0.196796 0.418119 0.954386 S\n0.418119 0.196796 0.045614 S\n0.696796 0.918120 0.545614 S\n0.918119 0.696797 0.454386 S\n0.932807 0.051281 0.834838 Br\n0.051280 0.932807 0.165162 Br\n0.432807 0.551281 0.665162 Br\n0.551281 0.432807 0.334838 Br\n",
"nsites": 8,
"nelements": 2,
"elements": [
"S",
"Br"
],
"chemical_system": "Br-S",
"density": 3.232669149270953,
"density_atomic": 0.034773175886444845,
"volume": 230.06239137100306,
"volume_molar": 17.31835130522987,
"formula_full": "S4 Br4",
"formula_reduced": "SBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.5786220524999999,
"spacegroup": 41
}
]
}