HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4141",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4139",
"results": [
{
"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,
"nelements": 3,
"elements": [
"Pr",
"Si",
"Ni"
],
"chemical_system": "Ni-Pr-Si",
"density": 5.749328955159299,
"density_atomic": 0.048906927764531684,
"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
},
{
"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-18206",
"created_at": "2022-09-04T14:38:15.180032Z",
"updated_at": "2022-09-04T14:38:15.180049Z",
"structure_string": "Pr3 Ni3 Sn3\n1.0\n3.735810 -6.470613 -0.000000\n3.735810 6.470613 0.000000\n-0.000000 -0.000000 4.066279\nPr Ni Sn\n3 3 3\ndirect\n0.000000 0.587752 0.000000 Pr\n0.412248 0.412248 0.000000 Pr\n0.587752 0.000000 0.000000 Pr\n0.666667 0.333333 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.333333 0.666667 0.500000 Ni\n0.750620 0.750620 0.500000 Sn\n0.000000 0.249380 0.500000 Sn\n0.249380 0.000000 0.500000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Pr-Sn",
"density": 8.06612024386502,
"density_atomic": 0.04578098515187639,
"volume": 196.58816799470128,
"volume_molar": 13.154240215717978,
"formula_full": "Pr3 Ni3 Sn3",
"formula_reduced": "PrNiSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.71961465,
"spacegroup": 189
},
{
"id": "jvasp-23742",
"created_at": "2022-09-04T14:37:45.205429Z",
"updated_at": "2022-09-04T14:37:45.205448Z",
"structure_string": "Pr4 Ni4 Sn4\n1.0\n4.636135 0.000000 0.000000\n-0.000000 7.593868 0.000000\n0.000000 0.000000 7.590643\nPr Ni Sn\n4 4 4\ndirect\n0.250000 0.804519 0.477307 Pr\n0.749999 0.195481 0.522692 Pr\n0.749999 0.304519 0.022692 Pr\n0.250000 0.695481 0.977307 Pr\n0.749999 0.580525 0.314061 Ni\n0.749999 0.919475 0.814061 Ni\n0.250000 0.080525 0.185938 Ni\n0.250000 0.419475 0.685938 Ni\n0.749999 0.592956 0.685099 Sn\n0.749999 0.907045 0.185099 Sn\n0.250000 0.092956 0.814901 Sn\n0.250000 0.407044 0.314901 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Pr-Sn",
"density": 7.911578109219002,
"density_atomic": 0.04490384831809935,
"volume": 267.2376744859788,
"volume_molar": 13.411190767746877,
"formula_full": "Pr4 Ni4 Sn4",
"formula_reduced": "PrNiSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7190979833333334,
"spacegroup": 62
},
{
"id": "jvasp-56937",
"created_at": "2022-09-04T14:37:29.571215Z",
"updated_at": "2022-09-04T14:37:29.571248Z",
"structure_string": "Pr1 Ni2 Sn2\n1.0\n4.129207 0.000000 -1.654163\n-0.662658 4.075688 -1.654163\n0.050560 0.059445 6.107064\nPr Ni Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.750001 0.250001 0.500000 Ni\n0.250000 0.750001 0.500000 Ni\n0.362751 0.362751 0.725501 Sn\n0.637250 0.637250 0.274500 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Pr-Sn",
"density": 7.946258601838478,
"density_atomic": 0.04826719075081356,
"volume": 103.59003543034507,
"volume_molar": 12.476675493898504,
"formula_full": "Pr1 Ni2 Sn2",
"formula_reduced": "Pr(NiSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.8797816100000002,
"spacegroup": 139
},
{
"id": "jvasp-92552",
"created_at": "2022-09-04T14:36:33.712817Z",
"updated_at": "2022-09-04T14:36:33.712847Z",
"structure_string": "Pr2 Ni2 Sn1\n1.0\n-4.361314 0.000000 0.000000\n-2.180657 -2.919076 4.312604\n-2.180657 2.919076 4.312604\nPr Ni Sn\n2 2 1\ndirect\n0.795881 0.704119 0.704119 Pr\n0.204120 0.295880 0.295880 Pr\n0.500001 0.292468 0.707531 Ni\n0.500001 0.707531 0.292468 Ni\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Pr",
"Ni",
"Sn"
],
"chemical_system": "Ni-Pr-Sn",
"density": 7.83200254979953,
"density_atomic": 0.04553419567130314,
"volume": 109.8075836475384,
"volume_molar": 13.225534504819008,
"formula_full": "Pr2 Ni2 Sn1",
"formula_reduced": "Pr2Ni2Sn",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.1423052400000002,
"spacegroup": 71
},
{
"id": "jvasp-106755",
"created_at": "2022-09-04T14:36:58.223672Z",
"updated_at": "2022-09-04T14:36:58.223693Z",
"structure_string": "Pr1 Y1 Ni4\n1.0\n4.431970 -0.000000 2.558799\n1.477323 4.178501 2.558799\n-0.000000 -0.000000 5.117598\nPr Y Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Pr\n0.000000 0.000000 0.000000 Y\n0.625799 0.625799 0.122604 Ni\n0.625799 0.122603 0.625799 Ni\n0.122603 0.625799 0.625800 Ni\n0.625799 0.625799 0.625800 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Y",
"Ni"
],
"chemical_system": "Ni-Pr-Y",
"density": 8.140156485596613,
"density_atomic": 0.0633093362019269,
"volume": 94.7727516975195,
"volume_molar": 9.51224751558319,
"formula_full": "Pr1 Y1 Ni4",
"formula_reduced": "PrYNi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.54795915,
"spacegroup": 216
},
{
"id": "jvasp-16811",
"created_at": "2022-09-04T14:37:51.199021Z",
"updated_at": "2022-09-04T14:37:51.199039Z",
"structure_string": "Pr3 Zn3 Ni3\n1.0\n3.618180 -6.266871 0.000000\n3.618180 6.266871 0.000000\n-0.000000 0.000000 3.879106\nPr Zn Ni\n3 3 3\ndirect\n0.000000 0.412861 0.500001 Pr\n0.587139 0.587139 0.500001 Pr\n0.412861 0.000000 0.500001 Pr\n0.000000 0.765704 0.000000 Zn\n0.234296 0.234296 0.000000 Zn\n0.765704 0.000000 0.000000 Zn\n0.000000 0.000000 0.500001 Ni\n0.333333 0.666667 0.000000 Ni\n0.666667 0.333333 0.000000 Ni\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pr",
"Zn",
"Ni"
],
"chemical_system": "Ni-Pr-Zn",
"density": 7.504644591672198,
"density_atomic": 0.05116110815469919,
"volume": 175.914876057534,
"volume_molar": 11.770934948849153,
"formula_full": "Pr3 Zn3 Ni3",
"formula_reduced": "PrZnNi",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1988242166666667,
"spacegroup": 189
},
{
"id": "jvasp-26934",
"created_at": "2022-09-04T14:38:36.290328Z",
"updated_at": "2022-09-04T14:38:36.290361Z",
"structure_string": "Ni4 P4 S4\n1.0\n5.581358 0.000000 0.000000\n0.000000 5.581358 0.000000\n0.000000 0.000000 5.581358\nNi P S\n4 4 4\ndirect\n0.005625 0.005625 0.005625 Ni\n0.494375 0.994376 0.505625 Ni\n0.505625 0.494375 0.994376 Ni\n0.994376 0.505625 0.494375 Ni\n0.611687 0.611687 0.611687 P\n0.888313 0.388313 0.111687 P\n0.111687 0.888313 0.388313 P\n0.388313 0.111687 0.888313 P\n0.388703 0.388703 0.388703 S\n0.111297 0.611297 0.888704 S\n0.888704 0.111297 0.611297 S\n0.611297 0.888704 0.111297 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ni",
"P",
"S"
],
"chemical_system": "Ni-P-S",
"density": 4.650447909998354,
"density_atomic": 0.06901787858019655,
"volume": 173.86799256740971,
"volume_molar": 8.725479374163127,
"formula_full": "Ni4 P4 S4",
"formula_reduced": "NiPS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6083259666666665,
"spacegroup": 198
},
{
"id": "jvasp-29973",
"created_at": "2022-09-04T14:37:57.050588Z",
"updated_at": "2022-09-04T14:37:57.050615Z",
"structure_string": "Ni2 P2 S6\n1.0\n5.535548 0.000425 1.821202\n2.767435 5.045386 0.910514\n-0.091852 0.000137 6.539265\nNi P S\n2 2 6\ndirect\n0.332914 0.334172 -0.000000 Ni\n0.667086 0.665828 -0.000001 Ni\n0.060033 0.000002 0.824480 P\n0.939966 0.999999 0.175518 P\n0.082071 0.345950 0.756885 S\n0.571981 0.345946 0.243115 S\n0.263521 0.999999 0.243187 S\n0.736478 0.000002 0.756812 S\n0.428019 0.654054 0.756884 S\n0.917929 0.654051 0.243113 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ni",
"P",
"S"
],
"chemical_system": "Ni-P-S",
"density": 3.3643569081444338,
"density_atomic": 0.05450445280714483,
"volume": 183.47124840209622,
"volume_molar": 11.048896832903488,
"formula_full": "Ni2 P2 S6",
"formula_reduced": "NiPS3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.01602358,
"spacegroup": 12
}
]
}