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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=950",
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{
"id": "jvasp-110095",
"created_at": "2022-09-04T14:38:18.284073Z",
"updated_at": "2022-09-04T14:38:18.284093Z",
"structure_string": "Sr2 As2 Au2\n1.0\n4.534924 0.000000 0.000000\n-2.267462 3.927360 0.000000\n-0.000000 -0.000000 8.455888\nSr As Au\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 As\n0.666666 0.333333 0.750000 As\n0.333333 0.666667 0.750000 Au\n0.666666 0.333333 0.250000 Au\n",
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{
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"structure_string": "Sr2 As6\n1.0\n1.845505 -5.161471 2.217916\n6.165626 0.287285 0.520910\n-0.996583 5.939062 3.867341\nSr As\n2 6\ndirect\n0.332521 0.664093 0.664228 Sr\n0.667479 0.335908 0.335772 Sr\n0.789969 0.007089 0.007139 As\n0.210031 -0.007088 0.992861 As\n0.606675 0.867660 0.409581 As\n0.393326 0.132342 0.590419 As\n0.935553 0.590452 0.132511 As\n0.064447 0.409550 0.867489 As\n",
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{
"id": "jvasp-22237",
"created_at": "2022-09-04T14:37:34.936488Z",
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"structure_string": "Sr1 As4 Rh6\n1.0\n3.653497 -6.328042 -0.000000\n3.653497 6.328042 0.000000\n-0.000000 0.000000 3.877320\nSr As Rh\n1 4 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.380908 0.190455 0.500000 As\n0.809546 0.619093 0.500000 As\n0.333333 0.666667 0.000000 As\n0.809546 0.190455 0.500000 As\n0.201759 0.798242 0.500000 Rh\n0.596484 0.798242 0.500000 Rh\n0.930090 0.465045 0.000000 Rh\n0.534955 0.069911 0.000000 Rh\n0.534956 0.465045 0.000000 Rh\n0.201759 0.403517 0.500000 Rh\n",
"nsites": 11,
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"elements": [
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"density": 9.305994285314014,
"density_atomic": 0.061355420389617325,
"volume": 179.28326348590124,
"volume_molar": 9.815173169311505,
"formula_full": "Sr1 As4 Rh6",
"formula_reduced": "Sr(As2Rh3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.815806482727273,
"spacegroup": 187
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{
"id": "jvasp-9073",
"created_at": "2022-09-04T14:37:05.900630Z",
"updated_at": "2022-09-04T14:37:05.900652Z",
"structure_string": "Sr6 As6\n1.0\n4.147685 -7.184001 0.000000\n4.147685 7.184001 0.000000\n0.000000 0.000000 6.219136\nSr As\n6 6\ndirect\n0.000000 0.647202 0.500000 Sr\n0.352798 0.352798 0.500000 Sr\n0.647202 0.000000 0.500000 Sr\n0.000000 0.313064 0.000000 Sr\n0.686937 0.686937 0.000000 Sr\n0.313064 0.000000 0.000000 Sr\n0.666668 0.333334 0.211163 As\n0.666668 0.333334 0.788838 As\n0.333334 0.666668 0.788838 As\n0.333334 0.666668 0.211163 As\n0.000000 0.000000 0.704938 As\n0.000000 0.000000 0.295063 As\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"chemical_system": "As-Sr",
"density": 4.369509404651024,
"density_atomic": 0.032377927491849166,
"volume": 370.6228572851331,
"volume_molar": 18.59952512870386,
"formula_full": "Sr6 As6",
"formula_reduced": "SrAs",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 189
},
{
"id": "jvasp-31173",
"created_at": "2022-09-04T14:38:17.627392Z",
"updated_at": "2022-09-04T14:38:17.627413Z",
"structure_string": "Sr1 Al2 Te4\n1.0\n6.749684 0.003429 0.003429\n3.371782 5.889709 0.001750\n3.371782 0.001750 5.889709\nSr Al Te\n1 2 4\ndirect\n0.749999 0.999995 0.000006 Sr\n0.249999 0.500010 0.499991 Al\n0.749999 0.499993 0.500007 Al\n0.174054 0.500002 0.151888 Te\n0.325945 0.848112 0.499998 Te\n0.674048 0.151894 0.500005 Te\n0.825950 0.499995 0.848106 Te\n",
"nsites": 7,
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"elements": [
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"Te"
],
"chemical_system": "Al-Sr-Te",
"density": 4.626653327594159,
"density_atomic": 0.029914350539658668,
"volume": 234.00140312990638,
"volume_molar": 20.13127696694001,
"formula_full": "Sr1 Al2 Te4",
"formula_reduced": "Sr(AlTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.9251175680952382,
"spacegroup": 97
},
{
"id": "jvasp-22543",
"created_at": "2022-09-04T14:37:27.317146Z",
"updated_at": "2022-09-04T14:37:27.317168Z",
"structure_string": "Sr1 Al2 Te4\n1.0\n6.749684 0.003429 0.003429\n3.371783 5.889706 0.001750\n3.371783 0.001750 5.889706\nSr Al Te\n1 2 4\ndirect\n0.749999 0.999995 0.000006 Sr\n0.249999 0.500010 0.499991 Al\n0.749999 0.499993 0.500007 Al\n0.174054 0.500002 0.151888 Te\n0.325944 0.848113 0.499999 Te\n0.674048 0.151894 0.500005 Te\n0.825950 0.499996 0.848107 Te\n",
"nsites": 7,
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"elements": [
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"density": 4.626658043059625,
"density_atomic": 0.02991438102823797,
"volume": 234.00116463691097,
"volume_molar": 20.131256449248745,
"formula_full": "Sr1 Al2 Te4",
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"spacegroup": 97
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{
"id": "jvasp-56525",
"created_at": "2022-09-04T14:37:32.912440Z",
"updated_at": "2022-09-04T14:37:32.912456Z",
"structure_string": "Sr1 Al1 Si1 H1\n1.0\n2.117948 -3.668395 0.000000\n2.117948 3.668395 -0.000000\n0.000000 0.000000 4.960583\nSr Al Si H\n1 1 1 1\ndirect\n0.000000 0.000000 0.000869 Sr\n0.666668 0.333333 0.459576 Al\n0.333333 0.666668 0.556910 Si\n0.666668 0.333333 0.105644 H\n",
"nsites": 4,
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"elements": [
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"Si",
"H"
],
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"density": 3.095541190844026,
"density_atomic": 0.05189265475441729,
"volume": 77.08220014817233,
"volume_molar": 11.604996484569664,
"formula_full": "Sr1 Al1 Si1 H1",
"formula_reduced": "SrAlSiH",
"formula_anonymous": "ABCD",
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"spacegroup": 156
},
{
"id": "jvasp-15700",
"created_at": "2022-09-04T14:36:18.102159Z",
"updated_at": "2022-09-04T14:36:18.102187Z",
"structure_string": "Sr1 Al2 Si2\n1.0\n2.110772 -3.655965 0.000000\n2.110772 3.655965 -0.000000\n0.000000 -0.000000 7.430942\nSr Al Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333332 0.372639 Al\n0.333332 0.666667 0.627361 Al\n0.666667 0.333332 0.724998 Si\n0.333332 0.666667 0.275002 Si\n",
"nsites": 5,
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"elements": [
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],
"chemical_system": "Al-Si-Sr",
"density": 2.863237165523756,
"density_atomic": 0.043596616287631784,
"volume": 114.68779978272038,
"volume_molar": 13.813321474924791,
"formula_full": "Sr1 Al2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 164
},
{
"id": "jvasp-15255",
"created_at": "2022-09-04T14:36:58.617240Z",
"updated_at": "2022-09-04T14:36:58.617266Z",
"structure_string": "Sr1 Al1 Si1\n1.0\n2.139132 -3.705085 -0.000000\n2.139132 3.705085 -0.000000\n-0.000000 0.000000 4.728756\nSr Al Si\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333333 0.500000 Al\n0.333333 0.666666 0.500000 Si\n",
"nsites": 3,
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"elements": [
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],
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"density": 3.160974269214938,
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"volume": 74.95708022691628,
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"formula_full": "Sr1 Al1 Si1",
"formula_reduced": "SrAlSi",
"formula_anonymous": "ABC",
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"spacegroup": 187
},
{
"id": "jvasp-10246",
"created_at": "2022-09-04T14:37:29.820770Z",
"updated_at": "2022-09-04T14:37:29.820794Z",
"structure_string": "Sr2 Al4 Se8\n1.0\n6.308245 -0.035815 0.000000\n-3.167724 5.455343 0.000000\n0.000000 0.000000 10.996902\nSr Al Se\n2 4 8\ndirect\n0.500000 0.499999 0.750000 Sr\n0.500000 0.499999 0.250000 Sr\n0.240990 0.761445 0.500000 Al\n0.759011 0.238553 0.500000 Al\n0.761446 0.240989 0.000000 Al\n0.238555 0.759010 0.000000 Al\n0.000000 0.500000 0.832139 Se\n0.000000 0.500000 0.167860 Se\n0.500000 -0.000000 0.332140 Se\n0.652560 0.817709 0.000000 Se\n0.347440 0.182289 0.000000 Se\n0.817711 0.652559 0.500000 Se\n0.182290 0.347440 0.500000 Se\n0.500000 -0.000000 0.667860 Se\n",
"nsites": 14,
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"elements": [
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],
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"density": 4.027451386348823,
"density_atomic": 0.03711600104797241,
"volume": 377.19580786478065,
"volume_molar": 16.22518749316874,
"formula_full": "Sr2 Al4 Se8",
"formula_reduced": "Sr(AlSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.171885053809524,
"spacegroup": 66
},
{
"id": "jvasp-22034",
"created_at": "2022-09-04T14:37:34.626220Z",
"updated_at": "2022-09-04T14:37:34.626237Z",
"structure_string": "Sr8 Al16 S32\n1.0\n11.551426 -0.007091 -3.074151\n-6.721065 9.394826 -3.074151\n-0.011716 -0.022771 12.094625\nSr Al S\n8 16 32\ndirect\n0.875000 0.125000 0.250000 Sr\n0.375000 0.625000 0.250000 Sr\n0.625000 0.375000 0.750000 Sr\n0.623410 0.873410 0.746819 Sr\n0.126590 0.376590 0.753181 Sr\n0.376590 0.126590 0.253181 Sr\n0.873410 0.623410 0.246819 Sr\n0.125000 0.875000 0.750000 Sr\n0.531041 0.637495 0.999776 Al\n0.637719 0.031265 0.500225 Al\n0.362505 0.468960 0.500225 Al\n0.968735 0.362282 0.999776 Al\n0.889827 0.864677 0.999094 Al\n0.362281 0.968735 0.499776 Al\n0.637495 0.531041 0.499776 Al\n0.031265 0.637719 0.000225 Al\n0.865583 0.390734 0.500907 Al\n0.135324 0.110173 0.500907 Al\n0.609267 0.134417 0.999094 Al\n0.110173 0.135324 0.000907 Al\n0.134417 0.609267 0.499094 Al\n0.864676 0.889827 0.499094 Al\n0.468959 0.362505 0.000225 Al\n0.390733 0.865583 0.000907 Al\n0.918394 0.418465 0.835541 S\n0.417146 0.417076 0.835541 S\n0.581535 0.081606 0.664460 S\n0.645553 0.336571 0.998327 S\n0.338244 0.147227 0.501674 S\n0.661756 0.852774 0.498327 S\n0.852773 0.661756 0.998327 S\n0.354447 0.663430 0.001674 S\n0.336570 0.645553 0.498327 S\n0.147227 0.338244 0.001674 S\n0.663430 0.354448 0.501674 S\n0.582924 0.582854 0.664460 S\n0.582854 0.582924 0.164460 S\n0.081606 0.581535 0.164459 S\n0.312413 0.160602 0.001559 S\n0.159043 0.810854 0.498441 S\n0.839398 0.687588 0.498441 S\n0.189147 0.840957 0.001559 S\n0.687587 0.839399 0.998442 S\n0.840957 0.189147 0.501559 S\n0.160602 0.312413 0.501559 S\n0.418465 0.918395 0.335541 S\n0.810853 0.159043 0.998442 S\n0.081314 0.080549 0.163701 S\n0.582387 0.083151 0.163701 S\n0.083150 0.582387 0.663701 S\n0.918686 0.919451 0.836300 S\n0.417613 0.916850 0.836300 S\n0.080549 0.081314 0.663701 S\n0.417076 0.417147 0.335541 S\n0.916850 0.417613 0.336300 S\n0.919451 0.918687 0.336300 S\n",
"nsites": 56,
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"elements": [
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],
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"density": 2.7356480190688046,
"density_atomic": 0.04273639454493484,
"volume": 1310.3585502777792,
"volume_molar": 14.091363635432721,
"formula_full": "Sr8 Al16 S32",
"formula_reduced": "Sr(AlS2)2",
"formula_anonymous": "AB2C4",
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"spacegroup": 70
},
{
"id": "jvasp-17859",
"created_at": "2022-09-04T14:37:30.876770Z",
"updated_at": "2022-09-04T14:37:30.876797Z",
"structure_string": "Sr1 Al2 Pb2\n1.0\n4.148591 -0.000000 -1.535996\n-0.568695 4.109427 -1.535996\n0.580373 0.666221 7.938024\nSr Al Pb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.249999 0.750001 0.499999 Al\n0.749999 0.250000 0.499999 Al\n0.379202 0.379203 0.758404 Pb\n0.620796 0.620798 0.241594 Pb\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.419324634452232,
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"volume": 143.82067781774745,
"volume_molar": 17.3221673203417,
"formula_full": "Sr1 Al2 Pb2",
"formula_reduced": "Sr(AlPb)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
}
]
}