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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1592",
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"results": [
{
"id": "jvasp-15474",
"created_at": "2022-09-04T14:36:58.479897Z",
"updated_at": "2022-09-04T14:36:58.479923Z",
"structure_string": "Pr1 Si2 Ru2\n1.0\n3.942924 -0.000000 -1.554852\n-0.613140 3.894960 -1.554852\n0.001736 0.002030 5.781225\nPr Si Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.636568 0.636568 0.273135 Si\n0.363432 0.363432 0.726865 Si\n0.750000 0.250000 0.500000 Ru\n0.250000 0.750000 0.500000 Ru\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Si",
"Ru"
],
"chemical_system": "Pr-Ru-Si",
"density": 7.464434085067008,
"density_atomic": 0.0562998156142627,
"volume": 88.8102375726667,
"volume_molar": 10.696555031832792,
"formula_full": "Pr1 Si2 Ru2",
"formula_reduced": "Pr(SiRu)2",
"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-18810",
"created_at": "2022-09-04T14:37:01.190681Z",
"updated_at": "2022-09-04T14:37:01.190692Z",
"structure_string": "Pr2 Si4 Ru2\n1.0\n0.000000 4.514202 0.010247\n4.132199 0.000000 0.000000\n0.000000 -1.764645 -8.181721\nPr Si Ru\n2 4 2\ndirect\n0.588581 0.250000 0.200512 Pr\n0.411417 0.750000 0.799488 Pr\n0.328715 0.250000 0.507279 Si\n0.671283 0.750000 0.492721 Si\n0.038199 0.750000 0.092108 Si\n0.961800 0.250000 0.907892 Si\n0.120727 0.750000 0.387605 Ru\n0.879272 0.250000 0.612394 Ru\n",
"nsites": 8,
"nelements": 3,
"elements": [
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"Si",
"Ru"
],
"chemical_system": "Pr-Ru-Si",
"density": 6.491091539512267,
"density_atomic": 0.05244399657754176,
"volume": 152.54367557917703,
"volume_molar": 11.482993579819734,
"formula_full": "Pr2 Si4 Ru2",
"formula_reduced": "PrSi2Ru",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9177818875000003,
"spacegroup": 11
},
{
"id": "jvasp-15452",
"created_at": "2022-09-04T14:36:21.627378Z",
"updated_at": "2022-09-04T14:36:21.627411Z",
"structure_string": "Pr1 Si2 Rh2\n1.0\n3.870840 -0.000000 -1.445201\n-0.539575 3.833049 -1.445201\n-0.004666 -0.005368 5.893953\nPr Si Rh\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.625868 0.625868 0.251736 Si\n0.374132 0.374132 0.748265 Si\n0.250000 0.750000 0.500000 Rh\n0.750000 0.250000 0.500000 Rh\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Rh"
],
"chemical_system": "Pr-Rh-Si",
"density": 7.655566566334728,
"density_atomic": 0.057215293909820955,
"volume": 87.38922162806114,
"volume_molar": 10.52540387102041,
"formula_full": "Pr1 Si2 Rh2",
"formula_reduced": "Pr(SiRh)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.72372661,
"spacegroup": 139
},
{
"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,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Pt"
],
"chemical_system": "Pr-Pt-Si",
"density": 10.617110932309878,
"density_atomic": 0.05443857067639332,
"volume": 91.84664361822038,
"volume_molar": 11.062268324049578,
"formula_full": "Pr1 Si2 Pt2",
"formula_reduced": "Pr(SiPt)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.61876597,
"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,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Pt"
],
"chemical_system": "Pr-Pt-Si",
"density": 9.199148491452751,
"density_atomic": 0.04564848448205115,
"volume": 131.43919383258347,
"volume_molar": 13.192422110679024,
"formula_full": "Pr2 Si2 Pt2",
"formula_reduced": "PrSiPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.8326332833333328,
"spacegroup": 109
},
{
"id": "jvasp-15179",
"created_at": "2022-09-04T14:37:17.288829Z",
"updated_at": "2022-09-04T14:37:17.288865Z",
"structure_string": "Pr1 Si2 Pd2\n1.0\n3.979050 0.000000 -1.563087\n-0.614026 3.931388 -1.563087\n-0.003668 -0.004286 5.836810\nPr Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.620365 0.620366 0.240730 Si\n0.379634 0.379634 0.759269 Si\n0.749999 0.250000 0.499999 Pd\n0.249999 0.750000 0.499999 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Pd"
],
"chemical_system": "Pd-Pr-Si",
"density": 7.459325528753153,
"density_atomic": 0.054792711095648726,
"volume": 91.2530134030376,
"volume_molar": 10.990769829745181,
"formula_full": "Pr1 Si2 Pd2",
"formula_reduced": "Pr(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.22785169,
"spacegroup": 139
},
{
"id": "jvasp-15648",
"created_at": "2022-09-04T14:35:51.756875Z",
"updated_at": "2022-09-04T14:35:51.756890Z",
"structure_string": "Pr1 Si2 Os2\n1.0\n3.955986 -0.000000 -1.533999\n-0.594834 3.911010 -1.533999\n-0.022348 -0.026003 5.810358\nPr Si Os\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.633315 0.633314 0.266628 Si\n0.366687 0.366687 0.733373 Si\n0.250001 0.750000 0.500000 Os\n0.750001 0.250000 0.500000 Os\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Os"
],
"chemical_system": "Os-Pr-Si",
"density": 10.70559836109132,
"density_atomic": 0.05581498335461784,
"volume": 89.58168039274935,
"volume_molar": 10.789469776849373,
"formula_full": "Pr1 Si2 Os2",
"formula_reduced": "Pr(SiOs)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 4.10573541,
"spacegroup": 139
},
{
"id": "jvasp-50343",
"created_at": "2022-09-04T14:35:46.062294Z",
"updated_at": "2022-09-04T14:35:46.062329Z",
"structure_string": "Pr2 Si2 O8\n1.0\n-3.623679 3.623679 3.242119\n3.623679 -3.623679 3.242119\n3.623679 3.623679 -3.242119\nPr Si O\n2 2 8\ndirect\n0.875000 0.125000 0.750000 Pr\n0.125000 0.875000 0.250000 Pr\n0.625000 0.375000 0.250000 Si\n0.375000 0.625000 0.750000 Si\n0.785101 0.359200 0.074099 O\n0.289001 0.214900 0.074099 O\n0.640800 0.214900 0.425901 O\n0.785101 0.711000 0.425901 O\n0.214899 0.289001 0.574099 O\n0.711000 0.785101 0.925901 O\n0.359200 0.785101 0.574099 O\n0.214899 0.640800 0.925901 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Si",
"O"
],
"chemical_system": "O-Pr-Si",
"density": 4.543906554607139,
"density_atomic": 0.0704681491816836,
"volume": 170.28970023125135,
"volume_molar": 8.545904539756668,
"formula_full": "Pr2 Si2 O8",
"formula_reduced": "PrSiO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.1888537416666667,
"spacegroup": 141
},
{
"id": "jvasp-15382",
"created_at": "2022-09-04T14:37:02.380802Z",
"updated_at": "2022-09-04T14:37:02.380827Z",
"structure_string": "Pr1 Si2 Ni2\n1.0\n3.818197 0.000000 -1.479469\n-0.573262 3.774916 -1.479469\n-0.013659 -0.015889 5.631463\nPr Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.631760 0.631760 0.263518 Si\n0.368241 0.368241 0.736481 Si\n0.750001 0.250000 0.500000 Ni\n0.250001 0.750001 0.500000 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Ni"
],
"chemical_system": "Ni-Pr-Si",
"density": 6.447580020419583,
"density_atomic": 0.0617368847002884,
"volume": 80.98886142819323,
"volume_molar": 9.754526470254284,
"formula_full": "Pr1 Si2 Ni2",
"formula_reduced": "Pr(SiNi)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.98378837,
"spacegroup": 139
},
{
"id": "jvasp-101129",
"created_at": "2022-09-04T14:36:43.872535Z",
"updated_at": "2022-09-04T14:36:43.872552Z",
"structure_string": "Pr3 Si3 Ni1\n1.0\n4.225064 -0.020213 -8.527138\n-0.207096 3.927891 -8.665590\n0.008244 0.020213 9.516469\nPr Si Ni\n3 3 1\ndirect\n0.000270 0.000270 -0.000000 Pr\n0.814847 0.314848 0.499999 Pr\n0.181024 0.681025 0.499998 Pr\n0.633614 0.133616 0.499999 Si\n0.360230 0.860231 0.499998 Si\n0.442410 0.442411 -0.000001 Si\n0.567597 0.567598 -0.000001 Ni\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Ni"
],
"chemical_system": "Ni-Pr-Si",
"density": 5.909732571118465,
"density_atomic": 0.04404041839142835,
"volume": 158.94490233458862,
"volume_molar": 13.674122499190645,
"formula_full": "Pr3 Si3 Ni1",
"formula_reduced": "Pr3Si3Ni",
"formula_anonymous": "AB3C3",
"energy_above_hull": 2.4255125357142857,
"spacegroup": 44
},
{
"id": "jvasp-15584",
"created_at": "2022-09-04T14:36:52.500100Z",
"updated_at": "2022-09-04T14:36:52.500118Z",
"structure_string": "Pr2 Si4 Ni2\n1.0\n4.102393 0.000000 -0.000000\n-0.000000 4.077081 -1.024619\n-0.000000 -0.022376 8.534866\nPr Si Ni\n2 4 2\ndirect\n0.250000 0.893814 0.787630 Pr\n0.749999 0.106185 0.212370 Pr\n0.250000 0.249707 0.499414 Si\n0.749999 0.750292 0.500586 Si\n0.749999 0.458663 0.917326 Si\n0.250000 0.541337 0.082674 Si\n0.749999 0.317746 0.635494 Ni\n0.250000 0.682253 0.364506 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Ni"
],
"chemical_system": "Ni-Pr-Si",
"density": 5.954360234866761,
"density_atomic": 0.0560780515032914,
"volume": 142.6583090093716,
"volume_molar": 10.73885521797515,
"formula_full": "Pr2 Si4 Ni2",
"formula_reduced": "PrSi2Ni",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0516973625,
"spacegroup": 63
},
{
"id": "jvasp-106758",
"created_at": "2022-09-04T14:36:57.144822Z",
"updated_at": "2022-09-04T14:36:57.144849Z",
"structure_string": "Pr2 Si3 Ni1\n1.0\n4.078606 0.000000 0.000000\n-2.039304 3.532176 0.000000\n-0.000000 -0.000000 8.515826\nPr Si Ni\n2 3 1\ndirect\n0.333335 0.666667 0.243575 Pr\n0.333335 0.666667 0.756425 Pr\n0.666668 0.333334 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.666668 0.333334 -0.000000 Ni\n",
"nsites": 6,
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"elements": [
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],
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"density": 5.749328955159299,
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"volume": 122.68200588856706,
"volume_molar": 12.313471803001663,
"formula_full": "Pr2 Si3 Ni1",
"formula_reduced": "Pr2Si3Ni",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.44380465,
"spacegroup": 187
}
]
}