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=nelements&page=3657",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3655",
"results": [
{
"id": "jvasp-50533",
"created_at": "2022-09-04T14:37:14.671286Z",
"updated_at": "2022-09-04T14:37:14.671310Z",
"structure_string": "Li5 Ti3 O8\n1.0\n0.012230 4.157090 4.157090\n4.157090 0.012230 4.157090\n4.157090 4.157090 0.012230\nLi Ti O\n5 3 8\ndirect\n0.625000 0.125000 0.125000 Li\n0.125000 0.125000 0.125000 Li\n0.125000 0.125000 0.625000 Li\n0.125000 0.625000 0.125000 Li\n0.625000 0.625000 0.625000 Li\n0.625000 0.125000 0.625000 Ti\n0.625000 0.625000 0.125000 Ti\n0.125000 0.625000 0.625000 Ti\n0.379362 0.379362 0.379362 O\n0.852822 0.375432 0.375432 O\n0.375432 0.852822 0.375432 O\n0.874568 0.874568 0.397178 O\n0.874568 0.397178 0.874568 O\n0.375432 0.375432 0.852822 O\n0.397178 0.874568 0.874568 O\n0.870638 0.870638 0.870638 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Li",
"Ti",
"O"
],
"chemical_system": "Li-O-Ti",
"density": 3.555660371328019,
"density_atomic": 0.11185166631167474,
"volume": 143.04659490200163,
"volume_molar": 5.384042060865951,
"formula_full": "Li5 Ti3 O8",
"formula_reduced": "Li5Ti3O8",
"formula_anonymous": "A3B5C8",
"energy_above_hull": 2.4929839375,
"spacegroup": 166
},
{
"id": "jvasp-32999",
"created_at": "2022-09-04T14:37:14.677284Z",
"updated_at": "2022-09-04T14:37:14.677315Z",
"structure_string": "H4 N4 O4\n1.0\n5.555036 0.000000 -2.781049\n-0.289802 3.001506 3.629249\n-0.289802 -3.001506 3.629249\nH N O\n4 4 4\ndirect\n-0.028772 0.270262 0.141304 H\n0.471228 0.141304 0.270262 H\n0.049019 0.723617 0.852553 H\n0.549020 0.852553 0.723617 H\n0.260117 0.602310 0.391572 N\n0.760117 0.391572 0.602310 N\n0.260121 0.802279 0.191596 N\n0.760122 0.191596 0.802279 N\n0.101280 0.298499 0.369434 O\n0.601280 0.369434 0.298499 O\n0.918958 0.695399 0.624440 O\n0.418958 0.624440 0.695399 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"H",
"N",
"O"
],
"chemical_system": "H-N-O",
"density": 1.7730165080008973,
"density_atomic": 0.10328246482568798,
"volume": 116.18622793571645,
"volume_molar": 5.830748491686072,
"formula_full": "H4 N4 O4",
"formula_reduced": "HNO",
"formula_anonymous": "ABC",
"energy_above_hull": 2.974885583333333,
"spacegroup": 15
},
{
"id": "jvasp-102812",
"created_at": "2022-09-04T14:37:14.714449Z",
"updated_at": "2022-09-04T14:37:14.714469Z",
"structure_string": "Y2 Mg2 Se6\n1.0\n6.913099 0.059370 2.091139\n-3.226581 6.114216 2.091139\n0.041449 0.069412 6.482840\nY Mg Se\n2 2 6\ndirect\n0.772381 0.772381 0.206369 Y\n0.227620 0.227620 0.793631 Y\n0.329781 0.670220 -0.000000 Mg\n0.670220 0.329781 0.000000 Mg\n0.188994 0.879157 0.222574 Se\n0.811007 0.120844 0.777426 Se\n0.120844 0.811007 0.777426 Se\n0.879156 0.188993 0.222574 Se\n0.593711 0.593711 0.701190 Se\n0.406289 0.406289 0.298810 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Se"
],
"chemical_system": "Mg-Se-Y",
"density": 4.254796641791996,
"density_atomic": 0.036594764317464244,
"volume": 273.2631343994656,
"volume_molar": 16.4562905987238,
"formula_full": "Y2 Mg2 Se6",
"formula_reduced": "YMgSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.07601892,
"spacegroup": 12
},
{
"id": "jvasp-9424",
"created_at": "2022-09-04T14:37:14.728935Z",
"updated_at": "2022-09-04T14:37:14.728945Z",
"structure_string": "Hf2 Cu4 Te6\n1.0\n4.008784 -0.000000 -0.805014\n-0.189083 7.250100 -0.941588\n0.002955 -0.073299 10.398642\nHf Cu Te\n2 4 6\ndirect\n0.645792 0.055809 0.291585 Hf\n0.354209 0.944191 0.708415 Hf\n0.712762 0.428335 0.425525 Cu\n0.287239 0.571665 0.574475 Cu\n0.048101 0.150443 0.096201 Cu\n0.951900 0.849557 0.903799 Cu\n0.751123 0.786906 0.502245 Te\n0.916981 0.179729 0.833963 Te\n0.582691 0.366933 0.165383 Te\n0.248878 0.213094 0.497755 Te\n0.417310 0.633067 0.834617 Te\n0.083019 0.820270 0.166037 Te\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Hf",
"Cu",
"Te"
],
"chemical_system": "Cu-Hf-Te",
"density": 7.571193067001888,
"density_atomic": 0.03974083318829784,
"volume": 301.9564271121911,
"volume_molar": 15.153534228802458,
"formula_full": "Hf2 Cu4 Te6",
"formula_reduced": "HfCu2Te3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.2857912000000007,
"spacegroup": 12
},
{
"id": "jvasp-29756",
"created_at": "2022-09-04T14:37:14.795504Z",
"updated_at": "2022-09-04T14:37:14.795528Z",
"structure_string": "Ga4 Fe4 S10\n1.0\n3.603000 -0.000040 0.000080\n-1.801528 3.120256 -0.000090\n0.000398 -0.000449 29.988062\nGa Fe S\n4 4 10\ndirect\n0.333291 0.666719 0.911821 Ga\n0.666671 0.333376 0.088179 Ga\n0.666651 0.333396 0.411820 Ga\n0.333401 0.666526 0.588180 Ga\n0.000029 -0.000070 0.704448 Fe\n0.000006 0.000042 0.204446 Fe\n-0.000039 -0.000041 0.795554 Fe\n-0.000014 0.000053 0.295552 Fe\n0.333331 0.666738 0.447387 S\n0.666680 0.333370 0.162974 S\n0.333365 0.666693 0.052612 S\n0.666723 0.333199 0.552613 S\n0.666653 0.333394 0.337025 S\n0.333369 0.666582 0.662974 S\n0.666609 0.333394 0.947388 S\n0.333287 0.666644 0.837026 S\n0.333332 0.666710 0.249999 S\n0.666660 0.333283 0.750001 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ga",
"Fe",
"S"
],
"chemical_system": "Fe-Ga-S",
"density": 4.053289887590412,
"density_atomic": 0.053391534136480706,
"volume": 337.13209951952257,
"volume_molar": 11.279205322338298,
"formula_full": "Ga4 Fe4 S10",
"formula_reduced": "Ga2Fe2S5",
"formula_anonymous": "A2B2C5",
"energy_above_hull": 1.976540627777778,
"spacegroup": 194
},
{
"id": "jvasp-10757",
"created_at": "2022-09-04T14:37:14.820334Z",
"updated_at": "2022-09-04T14:37:14.820354Z",
"structure_string": "Al2 Co4 O8\n1.0\n5.067938 0.042061 2.857786\n1.688815 4.778458 2.857786\n0.058955 0.042061 5.817858\nAl Co O\n2 4 8\ndirect\n0.625001 0.625001 0.625002 Al\n0.374999 0.374999 0.374999 Al\n0.000000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 -0.000000 0.000000 Co\n-0.000000 -0.000000 0.500000 Co\n0.247204 0.750935 0.750936 O\n0.249064 0.249064 0.752797 O\n0.249065 0.752796 0.249065 O\n0.249070 0.249070 0.249070 O\n0.750936 0.750935 0.247205 O\n0.752796 0.249064 0.249065 O\n0.750935 0.247204 0.750937 O\n0.750930 0.750930 0.750931 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Co",
"O"
],
"chemical_system": "Al-Co-O",
"density": 4.980083699307111,
"density_atomic": 0.10052183387239241,
"volume": 139.27322513606666,
"volume_molar": 5.990878327632597,
"formula_full": "Al2 Co4 O8",
"formula_reduced": "Al(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.6710097999999998,
"spacegroup": 227
},
{
"id": "jvasp-102453",
"created_at": "2022-09-04T14:37:14.829139Z",
"updated_at": "2022-09-04T14:37:14.829160Z",
"structure_string": "Ac1 Pr1 Mg2\n1.0\n4.893778 -0.000000 2.825424\n1.631259 4.613898 2.825424\n-0.000000 -0.000000 5.650849\nAc Pr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.499999 Ac\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.749999 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ac",
"Pr",
"Mg"
],
"chemical_system": "Ac-Mg-Pr",
"density": 5.420714707832137,
"density_atomic": 0.03134974664497274,
"volume": 127.59273767979371,
"volume_molar": 19.20953565653684,
"formula_full": "Ac1 Pr1 Mg2",
"formula_reduced": "AcPrMg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1560919875,
"spacegroup": 225
},
{
"id": "jvasp-79213",
"created_at": "2022-09-04T14:37:14.761100Z",
"updated_at": "2022-09-04T14:37:14.761136Z",
"structure_string": "Al1 V1 Co2\n1.0\n-2.874316 -2.874316 -0.000000\n-2.874316 -0.000000 -2.874316\n0.000000 -2.874316 -2.874316\nAl V Co\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.500001 0.500001 0.500001 V\n0.250000 0.250000 0.250000 Co\n0.750001 0.750001 0.750001 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"V",
"Co"
],
"chemical_system": "Al-Co-V",
"density": 6.845494147428732,
"density_atomic": 0.08422217611358478,
"volume": 47.493429694875964,
"volume_molar": 7.150302969942673,
"formula_full": "Al1 V1 Co2",
"formula_reduced": "AlVCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.0433247000000003,
"spacegroup": 225
},
{
"id": "jvasp-11314",
"created_at": "2022-09-04T14:37:15.033713Z",
"updated_at": "2022-09-04T14:37:15.033735Z",
"structure_string": "Ca2 Fe2 F8\n1.0\n5.411787 0.000582 -0.001953\n-0.000600 5.363929 -0.000651\n-2.703375 -2.679969 5.344341\nCa Fe F\n2 2 8\ndirect\n0.251266 0.248645 0.502099 Ca\n0.751198 0.748642 0.502095 Ca\n0.550486 0.059047 0.002150 Fe\n0.952042 0.559007 0.002109 Fe\n0.451271 0.312283 0.268826 F\n0.184551 0.044986 0.735241 F\n0.582900 0.672531 0.760171 F\n0.050945 0.544937 0.735135 F\n0.824917 0.914737 0.244216 F\n0.317904 0.812244 0.268739 F\n0.919668 0.414712 0.244161 F\n0.677574 0.172515 0.760126 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Fe",
"F"
],
"chemical_system": "Ca-F-Fe",
"density": 3.6811607791140633,
"density_atomic": 0.07736937583385346,
"volume": 155.10012677069219,
"volume_molar": 7.783623294224605,
"formula_full": "Ca2 Fe2 F8",
"formula_reduced": "CaFeF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 46
},
{
"id": "jvasp-29797",
"created_at": "2022-09-04T14:37:15.096631Z",
"updated_at": "2022-09-04T14:37:15.096653Z",
"structure_string": "V2 H3 O5\n1.0\n6.011381 1.482179 -0.870841\n-6.011381 1.482179 0.870841\n0.001494 0.000000 4.821835\nV H O\n2 3 5\ndirect\n0.864323 0.135678 0.608452 V\n0.128756 0.871244 0.373536 V\n0.479063 0.520938 0.979671 H\n0.664007 0.335993 0.843503 H\n0.333487 0.666514 0.153579 H\n-0.001823 0.001823 0.494125 O\n0.397119 0.602882 0.891661 O\n0.607524 0.392476 0.118667 O\n0.695807 0.304193 0.656846 O\n0.301768 0.698232 0.339072 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"H",
"O"
],
"chemical_system": "H-O-V",
"density": 3.573207503150819,
"density_atomic": 0.11637595456977937,
"volume": 85.92840365493174,
"volume_molar": 5.174729420920975,
"formula_full": "V2 H3 O5",
"formula_reduced": "V2H3O5",
"formula_anonymous": "A2B3C5",
"energy_above_hull": 3.22828659,
"spacegroup": 8
},
{
"id": "jvasp-51413",
"created_at": "2022-09-04T14:37:15.119811Z",
"updated_at": "2022-09-04T14:37:15.119840Z",
"structure_string": "In1 Ag1 S2\n1.0\n0.622339 5.806461 18.957431\n-1.679941 3.081281 6.849287\n-1.154164 -4.536037 -8.950930\nIn Ag S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 Ag\n0.482602 -0.202603 -0.000000 S\n0.517398 0.202602 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ag",
"S"
],
"chemical_system": "Ag-In-S",
"density": 5.891732782221719,
"density_atomic": 0.04948234325272706,
"volume": 80.83691549469118,
"volume_molar": 12.170282092831384,
"formula_full": "In1 Ag1 S2",
"formula_reduced": "InAgS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6518218075000001,
"spacegroup": 12
},
{
"id": "jvasp-10150",
"created_at": "2022-09-04T14:37:15.147017Z",
"updated_at": "2022-09-04T14:37:15.147028Z",
"structure_string": "K2 S2 O8\n1.0\n5.068557 0.076910 -0.124033\n-0.095819 5.478476 -0.124438\n-1.882941 -1.917234 6.539809\nK S O\n2 2 8\ndirect\n0.369712 0.192616 0.272162 K\n0.630288 0.807385 0.727839 K\n0.095842 0.284220 0.747408 S\n0.904158 0.715782 0.252592 S\n0.218502 0.096277 0.847616 O\n0.781499 0.903725 0.152385 O\n0.810639 0.208730 0.618870 O\n0.189362 0.791271 0.381130 O\n0.914442 0.456420 0.058596 O\n0.085559 0.543582 0.941405 O\n0.731346 0.596099 0.337234 O\n0.268655 0.403902 0.662767 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"S",
"O"
],
"chemical_system": "K-O-S",
"density": 2.5055825308921618,
"density_atomic": 0.06698225903516804,
"volume": 179.15191534074089,
"volume_molar": 8.990650430046209,
"formula_full": "K2 S2 O8",
"formula_reduced": "KSO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7039386666666672,
"spacegroup": 2
}
]
}