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=-volume&page=1561",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=1559",
"results": [
{
"id": "jvasp-90033",
"created_at": "2022-09-04T14:36:10.603080Z",
"updated_at": "2022-09-04T14:36:10.603100Z",
"structure_string": "Pt1 N2 Cl6\n1.0\n-4.536492 -4.536492 -0.000000\n-4.536492 -0.000000 -4.536492\n0.000000 -4.536492 -4.536492\nPt N Cl\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 N\n0.750000 0.750000 0.750000 N\n0.747851 0.252149 0.252149 Cl\n0.747851 0.252149 0.747851 Cl\n0.747851 0.747851 0.252149 Cl\n0.252149 0.747851 0.747851 Cl\n0.252149 0.747851 0.252149 Cl\n0.252149 0.252149 0.747851 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Pt",
"N",
"Cl"
],
"chemical_system": "Cl-N-Pt",
"density": 3.875798820357463,
"density_atomic": 0.04820055797828748,
"volume": 186.719830174044,
"volume_molar": 12.49392333323765,
"formula_full": "Pt1 N2 Cl6",
"formula_reduced": "Pt(NCl3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 1.9270969227777777,
"spacegroup": 225
},
{
"id": "jvasp-101053",
"created_at": "2022-09-04T14:36:37.512420Z",
"updated_at": "2022-09-04T14:36:37.512437Z",
"structure_string": "Pr2 In4 Ir2\n1.0\n5.697208 -0.031242 0.000000\n-3.979002 4.077584 0.000000\n-0.000000 -0.000000 8.080679\nPr In Ir\n2 4 2\ndirect\n0.569659 0.430341 0.250000 Pr\n0.430341 0.569659 0.750000 Pr\n0.855629 0.144372 0.050833 In\n0.144371 0.855628 0.949167 In\n0.144371 0.855628 0.550833 In\n0.855629 0.144372 0.449167 In\n0.280331 0.719668 0.250000 Ir\n0.719669 0.280331 0.750000 Ir\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pr",
"In",
"Ir"
],
"chemical_system": "In-Ir-Pr",
"density": 10.009679882166024,
"density_atomic": 0.04284571157118067,
"volume": 186.71646955167023,
"volume_molar": 14.055410773130152,
"formula_full": "Pr2 In4 Ir2",
"formula_reduced": "PrIn2Ir",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1911577224999998,
"spacegroup": 63
},
{
"id": "jvasp-4480",
"created_at": "2022-09-04T14:38:05.221796Z",
"updated_at": "2022-09-04T14:38:05.221820Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.882171 0.000126 -2.072049\n-2.948288 5.089875 -2.071901\n-0.000177 -0.000125 6.236451\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000001 0.499999 0.499999 Ca\n0.499999 0.499999 0.499999 Si\n0.500000 0.000000 0.000000 Si\n-0.000000 0.500000 -0.000000 Si\n-0.000001 -0.000000 0.500000 Si\n0.989437 0.739243 0.250195 O\n0.739240 0.489044 0.749803 O\n0.010561 0.260756 0.749804 O\n0.260758 0.510955 0.250196 O\n0.260760 0.010567 0.749807 O\n0.239349 0.760652 -0.000001 O\n0.760653 0.760652 0.521304 O\n0.760651 0.239348 0.000001 O\n0.489046 0.739242 0.749805 O\n0.239345 0.239347 0.478695 O\n0.510952 0.260757 0.250194 O\n0.739238 0.989432 0.250192 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.132320938237833,
"density_atomic": 0.10711541912766157,
"volume": 186.714482031422,
"volume_molar": 5.6221044636185695,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506963904,
"spacegroup": 139
},
{
"id": "jvasp-21250",
"created_at": "2022-09-04T14:37:50.461761Z",
"updated_at": "2022-09-04T14:37:50.461781Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.882171 0.000126 -2.072049\n-2.948288 5.089875 -2.071901\n-0.000177 -0.000125 6.236451\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000001 0.499999 0.499999 Ca\n0.499999 0.499999 0.499999 Si\n0.500000 0.000000 0.000000 Si\n-0.000000 0.500000 -0.000000 Si\n-0.000001 -0.000000 0.500000 Si\n0.989437 0.739243 0.250195 O\n0.739240 0.489044 0.749803 O\n0.010561 0.260756 0.749804 O\n0.260758 0.510955 0.250196 O\n0.260760 0.010567 0.749807 O\n0.239349 0.760652 -0.000001 O\n0.760653 0.760652 0.521304 O\n0.760651 0.239348 0.000001 O\n0.489046 0.739242 0.749805 O\n0.239345 0.239347 0.478695 O\n0.510952 0.260757 0.250194 O\n0.739238 0.989432 0.250192 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.132320938237833,
"density_atomic": 0.10711541912766157,
"volume": 186.714482031422,
"volume_molar": 5.6221044636185695,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506963904,
"spacegroup": 139
},
{
"id": "jvasp-103709",
"created_at": "2022-09-04T14:36:55.273942Z",
"updated_at": "2022-09-04T14:36:55.273966Z",
"structure_string": "La2 Fe1 Sn4\n1.0\n8.931100 -0.002583 0.000000\n-7.705308 4.515836 0.000000\n-0.000000 -0.000000 4.631785\nLa Fe Sn\n2 1 4\ndirect\n0.397129 0.602873 0.500001 La\n0.603203 0.396798 -0.000000 La\n0.197103 0.802898 0.500001 Fe\n0.757205 0.242796 0.500001 Sn\n0.255673 0.744328 -0.000000 Sn\n0.050339 0.949662 0.500001 Sn\n0.936052 0.063950 -0.000000 Sn\n",
"nsites": 7,
"nelements": 3,
"elements": [
"La",
"Fe",
"Sn"
],
"chemical_system": "Fe-La-Sn",
"density": 7.1903462580076924,
"density_atomic": 0.037490471635117824,
"volume": 186.71410880419566,
"volume_molar": 16.063123501383163,
"formula_full": "La2 Fe1 Sn4",
"formula_reduced": "La2FeSn4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3630060428571429,
"spacegroup": 38
},
{
"id": "jvasp-54908",
"created_at": "2022-09-04T14:38:36.508382Z",
"updated_at": "2022-09-04T14:38:36.508407Z",
"structure_string": "Nb5 Sb4\n1.0\n3.338357 -0.000000 0.817447\n1.669178 7.370543 0.408724\n-0.083822 -0.000000 7.567767\nNb Sb\n5 4\ndirect\n0.954821 0.392806 0.697556 Nb\n0.347627 0.697555 0.607194 Nb\n0.000000 0.000000 0.000000 Nb\n0.045181 0.607194 0.302445 Nb\n0.652375 0.302445 0.392806 Nb\n0.635765 0.041503 0.686972 Sb\n0.677267 0.686971 0.958497 Sb\n0.364238 0.958496 0.313028 Sb\n0.322736 0.313028 0.041503 Sb\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Nb",
"Sb"
],
"chemical_system": "Nb-Sb",
"density": 8.462806391665387,
"density_atomic": 0.048202127657998216,
"volume": 186.71374973022841,
"volume_molar": 12.493516474476086,
"formula_full": "Nb5 Sb4",
"formula_reduced": "Nb5Sb4",
"formula_anonymous": "A4B5",
"energy_above_hull": 4.458375711111111,
"spacegroup": 87
},
{
"id": "jvasp-19112",
"created_at": "2022-09-04T14:37:01.828404Z",
"updated_at": "2022-09-04T14:37:01.828430Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.879712 0.000000 -2.078793\n-2.939856 5.091980 -2.078793\n0.000000 0.000000 6.236377\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 -0.000000 0.500000 Ca\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Si\n-0.000000 0.500000 0.000000 Si\n-0.000000 -0.000000 0.500000 Si\n0.500000 -0.000000 0.000000 Si\n0.758676 0.741574 0.500252 O\n0.258426 0.017103 0.758678 O\n0.500251 0.758677 0.741575 O\n0.741573 0.982897 0.241323 O\n0.758677 0.258426 0.017103 O\n0.741574 0.500251 0.758678 O\n0.258425 0.499749 0.241323 O\n0.241323 0.258426 0.499749 O\n0.982897 0.241323 0.741575 O\n0.017102 0.758677 0.258426 O\n0.499748 0.241323 0.258426 O\n0.241322 0.741574 0.982898 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.13234853039029,
"density_atomic": 0.1071161343540487,
"volume": 186.71323531798134,
"volume_molar": 5.622066924199435,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506967904,
"spacegroup": 204
},
{
"id": "jvasp-52561",
"created_at": "2022-09-04T14:35:41.181217Z",
"updated_at": "2022-09-04T14:35:41.181247Z",
"structure_string": "Li4 Ag4 F8\n1.0\n2.881000 -0.000000 0.000000\n0.000000 4.899643 0.000000\n0.000000 0.000000 13.226560\nLi Ag F\n4 4 8\ndirect\n0.750000 0.774374 0.698981 Li\n0.750000 0.725625 0.198981 Li\n0.250000 0.274375 0.801019 Li\n0.250000 0.225625 0.301019 Li\n0.750000 0.798558 0.941682 Ag\n0.750000 0.701441 0.441682 Ag\n0.250000 0.298558 0.558318 Ag\n0.250000 0.201442 0.058318 Ag\n0.750000 0.321421 0.906527 F\n0.750000 0.382059 0.707020 F\n0.750000 0.178579 0.406527 F\n0.750000 0.117940 0.207020 F\n0.250000 0.882059 0.792980 F\n0.250000 0.821421 0.593473 F\n0.250000 0.617940 0.292980 F\n0.250000 0.678579 0.093473 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ag",
"F"
],
"chemical_system": "Ag-F-Li",
"density": 5.436193566563045,
"density_atomic": 0.085696952990357,
"volume": 186.70442112218845,
"volume_molar": 7.02725190320085,
"formula_full": "Li4 Ag4 F8",
"formula_reduced": "LiAgF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.013105,
"spacegroup": 62
},
{
"id": "jvasp-51611",
"created_at": "2022-09-04T14:38:30.361094Z",
"updated_at": "2022-09-04T14:38:30.361110Z",
"structure_string": "Yb1 Mn4 Cu3 O12\n1.0\n5.879649 0.000003 -2.078777\n-2.939809 5.091834 -2.078742\n-0.000027 -0.000004 6.236253\nYb Mn Cu O\n1 4 3 12\ndirect\n0.000000 0.000000 0.000000 Yb\n-0.000000 0.000001 0.500000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.500000 0.500000 0.499999 Mn\n1.000000 0.499999 -0.000001 Mn\n0.500000 0.000000 0.500000 Cu\n0.500000 0.499999 -0.000000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.520878 0.821345 0.699529 O\n0.821342 0.300472 0.121817 O\n0.821344 0.699527 0.520869 O\n0.699527 0.520870 0.821343 O\n0.699525 0.878181 0.178656 O\n0.178655 0.300473 0.479130 O\n0.878184 0.178654 0.699533 O\n0.178658 0.699528 0.878182 O\n0.300473 0.479129 0.178656 O\n0.121815 0.821345 0.300466 O\n0.479121 0.178654 0.300469 O\n0.300474 0.121819 0.821343 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Yb",
"Mn",
"Cu",
"O"
],
"chemical_system": "Cu-Mn-O-Yb",
"density": 6.8966646528728095,
"density_atomic": 0.1071226579549381,
"volume": 186.70186477648025,
"volume_molar": 5.621724549192249,
"formula_full": "Yb1 Mn4 Cu3 O12",
"formula_reduced": "YbMn4(CuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.6823661507758616,
"spacegroup": 204
},
{
"id": "jvasp-57073",
"created_at": "2022-09-04T14:37:43.430817Z",
"updated_at": "2022-09-04T14:37:43.430838Z",
"structure_string": "Ca4 Si4 O12\n1.0\n5.091862 -0.000000 0.000000\n0.000000 5.110835 0.000000\n0.000000 0.000000 7.174208\nCa Si O\n4 4 12\ndirect\n0.499248 0.999140 0.250000 Ca\n0.500752 0.000861 0.750000 Ca\n0.999248 0.500862 0.250000 Ca\n0.000752 0.499139 0.750000 Ca\n0.000000 0.000000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.248637 0.748637 0.481177 O\n0.251362 0.248636 0.518824 O\n0.499867 0.536716 0.750000 O\n0.751362 0.251364 0.981177 O\n0.500133 0.463284 0.250000 O\n0.251362 0.248636 0.981177 O\n0.751362 0.251364 0.518824 O\n0.999866 0.963285 0.750000 O\n0.748637 0.751365 0.018823 O\n0.748637 0.751365 0.481177 O\n0.000133 0.036716 0.250000 O\n0.248637 0.748637 0.018823 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.132659260137013,
"density_atomic": 0.10712418889471798,
"volume": 186.69919657133713,
"volume_molar": 5.621644207657507,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.506359904,
"spacegroup": 74
},
{
"id": "jvasp-91748",
"created_at": "2022-09-04T14:38:11.495923Z",
"updated_at": "2022-09-04T14:38:11.495942Z",
"structure_string": "Li2 Tb2 Sn4\n1.0\n-4.414790 -0.000000 0.000000\n-0.000000 0.000000 -4.478359\n2.207396 -9.442616 0.000000\nTb Li Sn\n2 2 4\ndirect\n0.892448 0.750000 0.784897 Tb\n0.107551 0.250000 0.215103 Tb\n0.675096 0.750000 0.350191 Li\n0.324904 0.250000 0.649809 Li\n0.545540 0.750000 0.091080 Sn\n0.454459 0.250000 0.908920 Sn\n0.251054 0.750000 0.502108 Sn\n0.748946 0.250000 0.497892 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Li",
"Sn"
],
"chemical_system": "Li-Sn-Tb",
"density": 7.174164520740092,
"density_atomic": 0.042851763858831424,
"volume": 186.69009813352784,
"volume_molar": 14.053425618228973,
"formula_full": "Li2 Tb2 Sn4",
"formula_reduced": "LiTbSn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6184329500000001,
"spacegroup": 63
},
{
"id": "jvasp-102607",
"created_at": "2022-09-04T14:36:47.647091Z",
"updated_at": "2022-09-04T14:36:47.647102Z",
"structure_string": "Y3 Ag3 Ge3\n1.0\n7.170087 -0.000000 0.000000\n-3.585042 6.209478 0.000000\n-0.000000 -0.000000 4.193024\nY Ag Ge\n3 3 3\ndirect\n0.585918 0.000000 -0.000000 Y\n0.000000 0.585918 -0.000000 Y\n0.414083 0.414083 -0.000000 Y\n0.252270 0.000000 0.500000 Ag\n0.000000 0.252270 0.500000 Ag\n0.747731 0.747731 0.500000 Ag\n0.333334 0.666667 0.500000 Ge\n0.666667 0.333333 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge-Y",
"density": 7.189252323338279,
"density_atomic": 0.04820983478619084,
"volume": 186.68390049280873,
"volume_molar": 12.491519182150306,
"formula_full": "Y3 Ag3 Ge3",
"formula_reduced": "YAgGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.7804128866666666,
"spacegroup": 189
}
]
}