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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=221",
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{
"id": "jvasp-35476",
"created_at": "2022-09-04T14:37:43.405721Z",
"updated_at": "2022-09-04T14:37:43.405729Z",
"structure_string": "Pr1 Re4 Si2\n1.0\n0.000000 0.000000 4.132898\n4.174875 0.000000 0.000000\n-2.087437 7.088360 0.000000\nPr Re Si\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.188878 0.377756 Re\n0.500000 0.811123 0.622245 Re\n0.000000 0.303634 0.607269 Re\n0.000000 0.696366 0.392731 Re\n0.500000 0.411064 0.822128 Si\n0.500000 0.588937 0.177872 Si\n",
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"elements": [
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"formula_full": "Pr1 Re4 Si2",
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{
"id": "jvasp-56617",
"created_at": "2022-09-04T14:38:14.436989Z",
"updated_at": "2022-09-04T14:38:14.437025Z",
"structure_string": "Pr2 Re4\n1.0\n4.796723 0.000000 2.769389\n1.598908 4.522393 2.769389\n0.000000 0.000000 5.538779\nPr Re\n2 4\ndirect\n0.125000 0.125000 0.125000 Pr\n0.875000 0.874999 0.875001 Pr\n0.500000 0.500000 0.000000 Re\n0.500000 0.000000 0.500000 Re\n0.500000 0.500000 0.500000 Re\n0.000000 0.500000 0.500000 Re\n",
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"elements": [
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{
"id": "jvasp-10096",
"created_at": "2022-09-04T14:37:00.904280Z",
"updated_at": "2022-09-04T14:37:00.904311Z",
"structure_string": "Rb2 Pr2 Te8\n1.0\n6.989514 0.000000 0.000000\n0.000000 6.989514 -0.000000\n0.000000 0.000000 9.100749\nRb Pr Te\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.500000 Pr\n0.356373 0.856373 0.288330 Te\n0.143626 0.356373 0.288330 Te\n0.856373 0.643626 0.288330 Te\n0.356373 0.143626 0.711670 Te\n0.643626 0.856373 0.711670 Te\n0.643626 0.143626 0.288330 Te\n0.856373 0.356373 0.711670 Te\n0.143626 0.643626 0.711670 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Pr",
"Te"
],
"chemical_system": "Pr-Rb-Te",
"density": 5.5035528920824,
"density_atomic": 0.02699045160178359,
"volume": 444.6016753275448,
"volume_molar": 22.312115591285785,
"formula_full": "Rb2 Pr2 Te8",
"formula_reduced": "RbPrTe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.646260152777778,
"spacegroup": 125
},
{
"id": "jvasp-1705",
"created_at": "2022-09-04T14:35:44.605838Z",
"updated_at": "2022-09-04T14:35:44.605854Z",
"structure_string": "Rb1 Pr1 Se2\n1.0\n4.227873 -0.001195 7.175985\n1.955843 3.748279 7.175985\n-0.001971 -0.001195 8.328845\nRb Pr Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500001 Pr\n0.235125 0.235126 0.235126 Se\n0.764872 0.764876 0.764875 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Pr",
"Se"
],
"chemical_system": "Pr-Rb-Se",
"density": 4.8314019198379725,
"density_atomic": 0.030284389200500028,
"volume": 132.08125062446217,
"volume_molar": 19.88529707543373,
"formula_full": "Rb1 Pr1 Se2",
"formula_reduced": "RbPrSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.4266941458333334,
"spacegroup": 166
},
{
"id": "jvasp-1654",
"created_at": "2022-09-04T14:36:54.438063Z",
"updated_at": "2022-09-04T14:36:54.438099Z",
"structure_string": "Rb1 Pr1 S2\n1.0\n4.083461 -0.002944 6.910063\n1.886882 3.621372 6.910063\n-0.004858 -0.002944 8.026431\nRb Pr S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500001 0.500000 Pr\n0.766110 0.766112 0.766111 S\n0.233888 0.233889 0.233889 S\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Pr-Rb-S",
"density": 4.05703004088719,
"density_atomic": 0.03364068520189813,
"volume": 118.90364230079076,
"volume_molar": 17.901361770301307,
"formula_full": "Rb1 Pr1 S2",
"formula_reduced": "RbPrS2",
"formula_anonymous": "ABC2",
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"spacegroup": 166
},
{
"id": "jvasp-38210",
"created_at": "2022-09-04T14:37:44.070479Z",
"updated_at": "2022-09-04T14:37:44.070507Z",
"structure_string": "Rb3 Pr1\n1.0\n0.000000 5.047764 5.047764\n5.047764 0.000000 5.047764\n5.047764 5.047764 0.000000\nRb Pr\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.250000 0.250000 0.250000 Rb\n0.749998 0.749998 0.749998 Pr\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Pr-Rb",
"density": 2.564794771486502,
"density_atomic": 0.015550088667044526,
"volume": 257.23325992843013,
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"formula_full": "Rb3 Pr1",
"formula_reduced": "Rb3Pr",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-38172",
"created_at": "2022-09-04T14:37:40.163041Z",
"updated_at": "2022-09-04T14:37:40.163060Z",
"structure_string": "Rb6 Pr2\n1.0\n4.494814 -7.785246 -0.000000\n4.494814 7.785246 0.000000\n0.000000 0.000000 7.385742\nRb Pr\n6 2\ndirect\n0.172188 0.827812 0.750000 Rb\n0.655623 0.827811 0.750000 Rb\n0.172188 0.344376 0.750000 Rb\n0.827812 0.172188 0.250000 Rb\n0.344376 0.172188 0.250000 Rb\n0.827811 0.655623 0.250000 Rb\n0.333333 0.666667 0.250000 Pr\n0.666667 0.333333 0.750000 Pr\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Pr-Rb",
"density": 2.5527103756060265,
"density_atomic": 0.015476822209424548,
"volume": 516.9019771467318,
"volume_molar": 38.91070581874903,
"formula_full": "Rb6 Pr2",
"formula_reduced": "Rb3Pr",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-38298",
"created_at": "2022-09-04T14:38:04.865521Z",
"updated_at": "2022-09-04T14:38:04.865553Z",
"structure_string": "Rb1 Pr3\n1.0\n-2.693460 2.693460 5.427784\n2.693460 -2.693460 5.427784\n2.693460 2.693460 -5.427784\nRb Pr\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750001 0.250000 0.500001 Pr\n0.250000 0.750001 0.500001 Pr\n0.500000 0.500000 0.000000 Pr\n",
"nsites": 4,
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"elements": [
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"density": 5.357624166135299,
"density_atomic": 0.025395477488556625,
"volume": 157.50835958104852,
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"formula_full": "Rb1 Pr3",
"formula_reduced": "RbPr3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.195006566666667,
"spacegroup": 139
},
{
"id": "jvasp-17696",
"created_at": "2022-09-04T14:38:29.186900Z",
"updated_at": "2022-09-04T14:38:29.186922Z",
"structure_string": "Pr3 Sn3 Pt3\n1.0\n3.845754 -6.661040 -0.000000\n3.845754 6.661040 0.000000\n0.000000 -0.000000 4.155363\nPr Sn Pt\n3 3 3\ndirect\n0.590863 0.590863 0.000000 Pr\n0.409136 -0.000000 0.000000 Pr\n-0.000000 0.409136 0.000000 Pr\n-0.000000 0.746875 0.500000 Sn\n0.253124 0.253124 0.500000 Sn\n0.746875 -0.000000 0.500000 Sn\n0.666666 0.333332 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.333332 0.666666 0.500000 Pt\n",
"nsites": 9,
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"elements": [
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"Sn",
"Pt"
],
"chemical_system": "Pr-Pt-Sn",
"density": 10.639822336477227,
"density_atomic": 0.04227464830651091,
"volume": 212.89355111237836,
"volume_molar": 14.245277018833303,
"formula_full": "Pr3 Sn3 Pt3",
"formula_reduced": "PrSnPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.04800765,
"spacegroup": 189
},
{
"id": "jvasp-56766",
"created_at": "2022-09-04T14:36:31.211365Z",
"updated_at": "2022-09-04T14:36:31.211379Z",
"structure_string": "Pr1 Si2 Pt2\n1.0\n3.992708 -0.000000 -1.588929\n-0.632327 3.942319 -1.588929\n0.006963 0.008169 5.828457\nPr Si Pt\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.377502 0.377503 0.755006 Si\n0.622497 0.622498 0.244994 Si\n0.750000 0.250000 0.500000 Pt\n0.249999 0.750000 0.500000 Pt\n",
"nsites": 5,
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"elements": [
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"density": 10.617110932309878,
"density_atomic": 0.05443857067639332,
"volume": 91.84664361822038,
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"formula_full": "Pr1 Si2 Pt2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-94337",
"created_at": "2022-09-04T14:36:11.629577Z",
"updated_at": "2022-09-04T14:36:11.629606Z",
"structure_string": "Pr2 Si2 Pt2\n1.0\n4.252624 0.000000 -0.000000\n0.000000 4.252624 -0.000000\n-2.126312 -2.126312 7.267933\nPr Si Pt\n2 2 2\ndirect\n0.249142 0.749142 0.498284 Pr\n0.999142 0.999142 0.998284 Pr\n0.668312 0.168312 0.336625 Si\n0.418312 0.418312 0.836625 Si\n0.836545 0.336546 0.673090 Pt\n0.586545 0.586545 0.173090 Pt\n",
"nsites": 6,
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"elements": [
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"density": 9.199148491452751,
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"volume": 131.43919383258347,
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"formula_full": "Pr2 Si2 Pt2",
"formula_reduced": "PrSiPt",
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"spacegroup": 109
},
{
"id": "jvasp-35035",
"created_at": "2022-09-04T14:37:29.556049Z",
"updated_at": "2022-09-04T14:37:29.556067Z",
"structure_string": "Pr2 Sb2 Pt2\n1.0\n2.294966 -3.974998 0.000000\n2.294966 3.974998 0.000000\n0.000000 0.000000 8.207527\nPr Sb Pt\n2 2 2\ndirect\n0.000000 0.000000 0.251221 Pr\n0.000000 0.000000 0.751222 Pr\n0.666668 0.333334 0.012538 Sb\n0.333334 0.666668 0.512538 Sb\n0.666668 0.333334 0.462241 Pt\n0.333334 0.666668 0.962241 Pt\n",
"nsites": 6,
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"elements": [
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],
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"volume": 149.7460881582203,
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"formula_full": "Pr2 Sb2 Pt2",
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"spacegroup": 186
}
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}