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=-id&page=220",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=218",
"results": [
{
"id": "jvasp-94308",
"created_at": "2022-09-04T14:36:10.666342Z",
"updated_at": "2022-09-04T14:36:10.666367Z",
"structure_string": "N1 Cl1 O4\n1.0\n-3.746104 -3.746104 -0.000000\n-3.746104 0.000000 -3.746104\n0.000000 -3.746104 -3.746104\nN Cl O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 Cl\n0.336185 0.887937 0.887937 O\n0.887937 0.336185 0.887937 O\n0.887937 0.887937 0.336185 O\n0.887937 0.887937 0.887937 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"N",
"Cl",
"O"
],
"chemical_system": "Cl-N-O",
"density": 1.7918929283077087,
"density_atomic": 0.057066569245945886,
"volume": 105.14036640508665,
"volume_molar": 10.552834767490117,
"formula_full": "N1 Cl1 O4",
"formula_reduced": "NClO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.96542688625,
"spacegroup": 216
},
{
"id": "jvasp-94306",
"created_at": "2022-09-04T14:36:07.918120Z",
"updated_at": "2022-09-04T14:36:07.918149Z",
"structure_string": "Cu2 Ag2 S2\n1.0\n-1.996277 -3.415077 0.000000\n-1.996277 3.415077 0.000000\n0.000000 0.000000 -8.260242\nCu Ag S\n2 2 2\ndirect\n0.469638 0.530363 0.280672 Cu\n0.530363 0.469638 0.780672 Cu\n-0.000035 0.000035 0.030613 Ag\n0.000035 -0.000035 0.530613 Ag\n0.808409 0.191592 0.280614 S\n0.191592 0.808409 0.780614 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cu",
"Ag",
"S"
],
"chemical_system": "Ag-Cu-S",
"density": 6.000052419849049,
"density_atomic": 0.05327300321437735,
"volume": 112.62740296159456,
"volume_molar": 11.304301234466056,
"formula_full": "Cu2 Ag2 S2",
"formula_reduced": "CuAgS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3117859033333333,
"spacegroup": 63
},
{
"id": "jvasp-94304",
"created_at": "2022-09-04T14:36:06.515365Z",
"updated_at": "2022-09-04T14:36:06.515390Z",
"structure_string": "La1 In1 Pt4\n1.0\n-3.877114 -3.877114 0.000000\n-3.877114 0.000000 -3.877114\n0.000000 -3.877114 -3.877114\nLa In Pt\n1 1 4\ndirect\n0.000000 0.000000 0.000000 La\n0.749999 0.749999 0.749999 In\n0.873051 0.375649 0.375649 Pt\n0.375649 0.873051 0.375649 Pt\n0.375649 0.375649 0.873051 Pt\n0.375649 0.375649 0.375649 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"In",
"Pt"
],
"chemical_system": "In-La-Pt",
"density": 14.731226443599358,
"density_atomic": 0.051474903609623354,
"volume": 116.56165586055194,
"volume_molar": 11.699178313515377,
"formula_full": "La1 In1 Pt4",
"formula_reduced": "LaInPt4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0566417616666666,
"spacegroup": 216
},
{
"id": "jvasp-94303",
"created_at": "2022-09-04T14:36:04.649523Z",
"updated_at": "2022-09-04T14:36:04.649557Z",
"structure_string": "Zr2 Sc4\n1.0\n0.000000 3.255708 0.000000\n5.709200 -1.627854 1.337994\n0.013919 0.000000 -7.598304\nZr Sc\n2 4\ndirect\n0.473553 0.947103 0.192942 Zr\n0.526449 0.052897 0.807058 Zr\n0.807952 0.615902 0.862332 Sc\n0.192049 0.384098 0.137668 Sc\n0.865988 0.731974 0.474000 Sc\n0.134014 0.268026 0.526000 Sc\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Zr",
"Sc"
],
"chemical_system": "Sc-Zr",
"density": 4.2575491331571715,
"density_atomic": 0.0424646427445776,
"volume": 141.2940180867565,
"volume_molar": 14.18154109107389,
"formula_full": "Zr2 Sc4",
"formula_reduced": "ZrSc2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.808898333333333,
"spacegroup": 12
},
{
"id": "jvasp-94302",
"created_at": "2022-09-04T14:36:01.928515Z",
"updated_at": "2022-09-04T14:36:01.928549Z",
"structure_string": "Th2 Si2 Ni2\n1.0\n4.097769 0.000000 0.000000\n0.000000 4.097769 0.000000\n-2.048885 -2.048885 7.045582\nTh Si Ni\n2 2 2\ndirect\n0.248797 0.748797 0.497595 Th\n0.998798 0.998798 0.997594 Th\n0.668157 0.168157 0.336312 Si\n0.418157 0.418157 0.836312 Si\n0.837048 0.337048 0.674094 Ni\n0.587047 0.587047 0.174094 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Th",
"density": 8.949704382671339,
"density_atomic": 0.05071535049903977,
"volume": 118.3073752021807,
"volume_molar": 11.874394440227759,
"formula_full": "Th2 Si2 Ni2",
"formula_reduced": "ThSiNi",
"formula_anonymous": "ABC",
"energy_above_hull": 1.9597322000000004,
"spacegroup": 109
},
{
"id": "jvasp-94301",
"created_at": "2022-09-04T14:35:59.490490Z",
"updated_at": "2022-09-04T14:35:59.490505Z",
"structure_string": "Yb1 Cu4 Ag1\n1.0\n-3.541784 -3.541784 0.000000\n-3.541784 0.000000 -3.541784\n0.000000 -3.541784 -3.541784\nYb Cu Ag\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Yb\n0.873973 0.375342 0.375342 Cu\n0.375342 0.873973 0.375342 Cu\n0.375342 0.375342 0.873973 Cu\n0.375342 0.375342 0.375342 Cu\n0.749999 0.749999 0.749999 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Yb",
"Cu",
"Ag"
],
"chemical_system": "Ag-Cu-Yb",
"density": 9.999574194007126,
"density_atomic": 0.06752351466590409,
"volume": 88.85793385736913,
"volume_molar": 8.91858308886411,
"formula_full": "Yb1 Cu4 Ag1",
"formula_reduced": "YbCu4Ag",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-94300",
"created_at": "2022-09-04T14:35:58.247409Z",
"updated_at": "2022-09-04T14:35:58.247437Z",
"structure_string": "Th4 Ag2\n1.0\n0.000000 0.000000 -5.868323\n-3.807603 3.807603 -2.934162\n3.807603 3.807603 -2.934162\nTh Ag\n4 2\ndirect\n0.343921 0.500000 0.812157 Th\n0.656078 0.500000 0.187843 Th\n0.843921 0.812157 0.500000 Th\n0.156079 0.187843 0.500000 Th\n0.750000 0.000000 0.000000 Ag\n0.250000 0.000000 0.000000 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Ag"
],
"chemical_system": "Ag-Th",
"density": 11.163118070117656,
"density_atomic": 0.03526175504041017,
"volume": 170.15602295245844,
"volume_molar": 17.07839202302493,
"formula_full": "Th4 Ag2",
"formula_reduced": "Th2Ag",
"formula_anonymous": "AB2",
"energy_above_hull": 1.886749486666667,
"spacegroup": 140
},
{
"id": "jvasp-9430",
"created_at": "2022-09-04T14:37:09.351562Z",
"updated_at": "2022-09-04T14:37:09.351581Z",
"structure_string": "Sc1 Al8 Fe4\n1.0\n4.645936 0.000000 1.902924\n2.322967 6.074897 0.951462\n0.020414 0.000000 6.573083\nSc Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Sc\n0.665726 0.334275 0.334274 Al\n-0.000000 0.665725 0.334275 Al\n-0.000000 0.334275 0.665725 Al\n0.334275 0.665725 0.665724 Al\n0.718589 0.781412 0.781410 Al\n0.281412 0.218589 0.218588 Al\n0.500001 0.781412 0.218588 Al\n0.500000 0.218589 0.781411 Al\n0.500001 0.500000 -0.000001 Fe\n0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.499999 Fe\n-0.000000 -0.000000 0.500000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sc",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Sc",
"density": 4.339451702684567,
"density_atomic": 0.07016408954111587,
"volume": 185.2799642241784,
"volume_molar": 8.582938650505895,
"formula_full": "Sc1 Al8 Fe4",
"formula_reduced": "Sc(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.787281511538462,
"spacegroup": 139
},
{
"id": "jvasp-943",
"created_at": "2022-09-04T14:37:49.434205Z",
"updated_at": "2022-09-04T14:37:49.434223Z",
"structure_string": "Ni1\n1.0\n2.150648 0.000009 1.241692\n0.716891 2.027647 1.241692\n0.000013 0.000009 2.483361\nNi\n1\ndirect\n-0.000000 0.000000 -0.000000 Ni\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ni"
],
"chemical_system": "Ni",
"density": 8.999936037068512,
"density_atomic": 0.09234237864044871,
"volume": 10.829264035894893,
"volume_molar": 6.521535235136474,
"formula_full": "Ni1",
"formula_reduced": "Ni",
"formula_anonymous": "A",
"energy_above_hull": 2.4000000000690136e-06,
"spacegroup": 225
},
{
"id": "jvasp-94299",
"created_at": "2022-09-04T14:35:56.340830Z",
"updated_at": "2022-09-04T14:35:56.340856Z",
"structure_string": "Tb2 Si4\n1.0\n-0.000000 -3.967298 0.000000\n-3.967218 0.000000 0.000000\n1.983610 1.983649 -7.483174\nTb Si\n2 4\ndirect\n0.625014 0.375014 0.750027 Tb\n0.374986 0.624986 0.249972 Tb\n0.043614 0.793615 0.587228 Si\n0.956386 0.206385 0.412771 Si\n0.206387 0.956388 0.912774 Si\n0.793613 0.043612 0.087225 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Si"
],
"chemical_system": "Si-Tb",
"density": 6.06520383982404,
"density_atomic": 0.05094300011246397,
"volume": 117.77869357427204,
"volume_molar": 11.821331187219561,
"formula_full": "Tb2 Si4",
"formula_reduced": "TbSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.109378533333333,
"spacegroup": 141
},
{
"id": "jvasp-94298",
"created_at": "2022-09-04T14:35:51.571569Z",
"updated_at": "2022-09-04T14:35:51.571605Z",
"structure_string": "Tb2 Co4\n1.0\n-3.545167 -3.545167 -0.000000\n-3.545167 -0.000000 -3.545167\n0.000000 -3.545167 -3.545167\nTb Co\n2 4\ndirect\n0.750001 0.750001 0.750001 Tb\n0.000000 0.000000 0.000000 Tb\n0.875001 0.375000 0.375000 Co\n0.375000 0.875001 0.375000 Co\n0.375000 0.375000 0.875001 Co\n0.375000 0.375000 0.375000 Co\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tb",
"Co"
],
"chemical_system": "Co-Tb",
"density": 10.315543840403214,
"density_atomic": 0.06733039473395454,
"volume": 89.11280000225835,
"volume_molar": 8.9441637521888,
"formula_full": "Tb2 Co4",
"formula_reduced": "TbCo2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2894667333333336,
"spacegroup": 227
},
{
"id": "jvasp-94297",
"created_at": "2022-09-04T14:35:48.923163Z",
"updated_at": "2022-09-04T14:35:48.923197Z",
"structure_string": "Ba2 Ag4\n1.0\n-4.888085 0.000000 0.000000\n-2.444043 -4.303734 4.234786\n-2.444043 4.303734 4.234786\nBa Ag\n2 4\ndirect\n0.000017 0.249982 0.749982 Ba\n0.999981 0.750019 0.250019 Ba\n0.333369 0.666588 0.666673 Ag\n0.666629 0.333413 0.333328 Ag\n0.666628 0.833329 0.833414 Ag\n0.333370 0.166672 0.166587 Ag\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Ag"
],
"chemical_system": "Ag-Ba",
"density": 6.580913121767634,
"density_atomic": 0.033674845788868014,
"volume": 178.17453530799648,
"volume_molar": 17.883202191205747,
"formula_full": "Ba2 Ag4",
"formula_reduced": "BaAg2",
"formula_anonymous": "AB2",
"energy_above_hull": 8.666666666666632e-05,
"spacegroup": 191
}
]
}