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=formula_reduced&page=878",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=876",
"results": [
{
"id": "jvasp-109509",
"created_at": "2022-09-04T14:38:05.996368Z",
"updated_at": "2022-09-04T14:38:05.996396Z",
"structure_string": "Ca1 Sm1 Pd2\n1.0\n4.326156 0.000000 2.497707\n1.442052 4.078739 2.497707\n-0.000000 -0.000000 4.995414\nCa Sm Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sm\n0.750000 0.750000 0.750000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sm",
"Pd"
],
"chemical_system": "Ca-Pd-Sm",
"density": 7.597208578516981,
"density_atomic": 0.04537957385101046,
"volume": 88.14538481856926,
"volume_molar": 13.270597868044778,
"formula_full": "Ca1 Sm1 Pd2",
"formula_reduced": "CaSmPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.89402017375,
"spacegroup": 225
},
{
"id": "jvasp-40106",
"created_at": "2022-09-04T14:37:46.137083Z",
"updated_at": "2022-09-04T14:37:46.137098Z",
"structure_string": "Ca1 Sm1 Rh2\n1.0\n0.000000 3.440354 3.440354\n3.440354 0.000000 3.440354\n3.440354 3.440354 0.000000\nCa Sm Rh\n1 1 2\ndirect\n0.249999 0.249999 0.249999 Ca\n0.749998 0.749998 0.749998 Sm\n0.000000 0.000000 0.000000 Rh\n0.499999 0.499999 0.499999 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sm",
"Rh"
],
"chemical_system": "Ca-Rh-Sm",
"density": 8.079377199839195,
"density_atomic": 0.0491157295209633,
"volume": 81.44030515301097,
"volume_molar": 12.261124529219634,
"formula_full": "Ca1 Sm1 Rh2",
"formula_reduced": "CaSmRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.55953882375,
"spacegroup": 225
},
{
"id": "jvasp-13321",
"created_at": "2022-09-04T14:37:08.395154Z",
"updated_at": "2022-09-04T14:37:08.395177Z",
"structure_string": "Ca2 Sm4 S8\n1.0\n7.339086 0.016196 0.000000\n-2.431093 6.924754 0.000000\n-2.453997 -3.470476 5.982988\nCa Sm S\n2 4 8\ndirect\n0.625000 0.375000 0.250000 Ca\n0.875000 0.125000 0.750000 Ca\n0.121619 0.749999 0.871620 Sm\n0.250000 0.621619 0.371620 Sm\n0.378381 0.250000 0.628381 Sm\n0.750001 0.878380 0.128380 Sm\n0.003919 0.859099 0.501743 S\n0.002176 0.357356 0.498257 S\n0.496081 0.997824 0.855181 S\n0.140900 0.142643 0.144819 S\n0.359100 0.503919 0.001743 S\n0.642644 0.640900 0.644819 S\n0.497825 0.996081 0.355181 S\n0.857357 0.502175 0.998257 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sm",
"S"
],
"chemical_system": "Ca-S-Sm",
"density": 5.119232350713859,
"density_atomic": 0.046007351898611284,
"volume": 304.29919180857235,
"volume_molar": 13.089518330181868,
"formula_full": "Ca2 Sm4 S8",
"formula_reduced": "Ca(SmS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.3372368814285711,
"spacegroup": 122
},
{
"id": "jvasp-39963",
"created_at": "2022-09-04T14:37:54.137416Z",
"updated_at": "2022-09-04T14:37:54.137433Z",
"structure_string": "Ca1 Sm1 Zn2\n1.0\n0.000022 3.623637 3.623637\n3.623637 0.000022 3.623637\n3.623637 3.623637 0.000022\nCa Sm Zn\n1 1 2\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750002 0.750002 0.750002 Sm\n0.999984 0.999984 0.999984 Zn\n0.500017 0.500017 0.500017 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sm",
"Zn"
],
"chemical_system": "Ca-Sm-Zn",
"density": 5.6058341907309694,
"density_atomic": 0.04203392009546158,
"volume": 95.16124099098437,
"volume_molar": 14.326859703599743,
"formula_full": "Ca1 Sm1 Zn2",
"formula_reduced": "CaSmZn2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-4213",
"created_at": "2022-09-04T14:36:53.865606Z",
"updated_at": "2022-09-04T14:36:53.865626Z",
"structure_string": "Ca2 Sn2\n1.0\n4.459482 0.000000 -1.706984\n0.000000 4.373258 0.000000\n-0.172512 0.000000 6.227983\nCa Sn\n2 2\ndirect\n0.133072 0.750000 0.266146 Ca\n0.866928 0.250000 0.733854 Ca\n0.413365 0.750000 0.826731 Sn\n0.586635 0.250000 0.173270 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 4.388227378845995,
"density_atomic": 0.03328528978440294,
"volume": 120.17320641968239,
"volume_molar": 18.092499115996574,
"formula_full": "Ca2 Sn2",
"formula_reduced": "CaSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-14558",
"created_at": "2022-09-04T14:36:08.648920Z",
"updated_at": "2022-09-04T14:36:08.648937Z",
"structure_string": "Ca2 Sn2\n1.0\n4.459483 -0.000000 -1.706984\n-0.000000 4.373258 -0.000000\n-0.172512 0.000000 6.227984\nCa Sn\n2 2\ndirect\n0.133072 0.750000 0.266146 Ca\n0.866927 0.250000 0.733854 Ca\n0.413365 0.750000 0.826730 Sn\n0.586635 0.250000 0.173270 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 4.388225672130427,
"density_atomic": 0.03328527683873778,
"volume": 120.17325315872856,
"volume_molar": 18.09250615272445,
"formula_full": "Ca2 Sn2",
"formula_reduced": "CaSn",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-9649",
"created_at": "2022-09-04T14:37:27.813892Z",
"updated_at": "2022-09-04T14:37:27.813913Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.731493 0.001119 -0.000081\n-0.001472 5.105427 0.003113\n0.000190 -0.012809 11.508467\nCa Sn O\n2 4 10\ndirect\n0.252142 0.778173 0.750213 Ca\n0.752127 0.225033 0.250246 Ca\n0.752157 0.309954 0.915097 Sn\n0.252140 0.693231 0.085355 Sn\n0.252107 0.693479 0.415298 Sn\n0.752123 0.309751 0.585151 Sn\n0.252126 0.542369 0.250296 O\n0.752134 0.460839 0.750161 O\n0.252149 0.492547 0.923361 O\n0.752141 0.510622 0.077093 O\n0.252115 0.492429 0.577088 O\n0.752106 0.510817 0.423366 O\n0.752091 -0.064057 0.615171 O\n0.252076 0.067303 0.385315 O\n0.252164 0.067070 0.115407 O\n0.752181 -0.063901 0.885081 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.415225597008053,
"density_atomic": 0.07297724623529231,
"volume": 219.2464202939777,
"volume_molar": 8.25208002585284,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.568134895833333,
"spacegroup": 59
},
{
"id": "jvasp-10327",
"created_at": "2022-09-04T14:37:20.018661Z",
"updated_at": "2022-09-04T14:37:20.018686Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.978215 0.000059 0.000000\n-1.988890 5.458182 0.000000\n0.000000 0.000000 10.834248\nCa Sn O\n2 4 10\ndirect\n0.807202 0.614281 0.750000 Ca\n0.192800 0.385720 0.250000 Ca\n0.131569 0.263039 0.563317 Sn\n0.868433 0.736962 0.436682 Sn\n0.868433 0.736962 0.063318 Sn\n0.131569 0.263039 0.936683 Sn\n0.801430 0.603020 0.250000 O\n0.198572 0.396980 0.750000 O\n0.305897 0.611865 0.053191 O\n0.694106 0.388136 0.946809 O\n0.694106 0.388136 0.553191 O\n0.305897 0.611865 0.446808 O\n-0.047976 -0.095377 0.609429 O\n0.047976 0.095376 0.390571 O\n-0.047976 -0.095377 0.890571 O\n0.047976 0.095376 0.109430 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.046748727660412,
"density_atomic": 0.06801153857553209,
"volume": 235.25419855383447,
"volume_molar": 8.854586862951123,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.555687395833333,
"spacegroup": 63
},
{
"id": "jvasp-112718",
"created_at": "2022-09-04T14:38:41.923945Z",
"updated_at": "2022-09-04T14:38:41.923971Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.976189 0.000202 0.000000\n-1.988195 5.453028 0.000000\n0.000000 -0.000000 10.817760\nCa Sn O\n2 4 10\ndirect\n0.807030 0.614035 0.750000 Ca\n0.192970 0.385966 0.250000 Ca\n0.131502 0.262970 0.563271 Sn\n0.868498 0.737031 0.436728 Sn\n0.868498 0.737031 0.063272 Sn\n0.131502 0.262970 0.936729 Sn\n0.801154 0.602353 0.250000 O\n0.198846 0.397648 0.750000 O\n0.305849 0.611716 0.053202 O\n0.694152 0.388285 0.946798 O\n0.694152 0.388285 0.553202 O\n0.305849 0.611716 0.446797 O\n-0.047809 -0.095441 0.609710 O\n0.047809 0.095440 0.390290 O\n-0.047809 -0.095441 0.890290 O\n0.047809 0.095440 0.109711 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"O"
],
"chemical_system": "Ca-O-Sn",
"density": 5.061729488338827,
"density_atomic": 0.06821342391553062,
"volume": 234.5579371563721,
"volume_molar": 8.828380712068169,
"formula_full": "Ca2 Sn4 O10",
"formula_reduced": "CaSn2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 1.554032395833333,
"spacegroup": 63
},
{
"id": "jvasp-91836",
"created_at": "2022-09-04T14:35:54.894329Z",
"updated_at": "2022-09-04T14:35:54.894364Z",
"structure_string": "Ca2 Sn4 Rh2\n1.0\n4.370874 0.000000 0.000000\n-2.185437 5.466193 0.000000\n0.000000 -0.000000 7.576317\nCa Sn Rh\n2 4 2\ndirect\n0.067491 0.134984 0.750000 Ca\n0.932507 0.865015 0.250000 Ca\n0.356283 0.712568 0.954046 Sn\n0.643715 0.287432 0.045954 Sn\n0.643715 0.287432 0.454046 Sn\n0.356283 0.712568 0.545954 Sn\n0.790589 0.581180 0.750000 Rh\n0.209409 0.418819 0.250000 Rh\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"Rh"
],
"chemical_system": "Ca-Rh-Sn",
"density": 6.979305531372796,
"density_atomic": 0.04419555585739707,
"volume": 181.0136753526323,
"volume_molar": 13.62612290573118,
"formula_full": "Ca2 Sn4 Rh2",
"formula_reduced": "CaSn2Rh",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6542217050000001,
"spacegroup": 63
},
{
"id": "jvasp-16467",
"created_at": "2022-09-04T14:38:12.636129Z",
"updated_at": "2022-09-04T14:38:12.636147Z",
"structure_string": "Ca1 Sn3\n1.0\n4.768379 0.000000 0.000000\n0.000000 4.768379 0.000000\n-0.000000 -0.000000 4.768379\nCa Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 6.068202118660208,
"density_atomic": 0.03689331596669494,
"volume": 108.42072324458334,
"volume_molar": 16.32312141699712,
"formula_full": "Ca1 Sn3",
"formula_reduced": "CaSn3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.28075835,
"spacegroup": 221
},
{
"id": "jvasp-122551",
"created_at": "2022-09-04T14:38:51.178241Z",
"updated_at": "2022-09-04T14:38:51.178316Z",
"structure_string": "Ca1 Sn7\n1.0\n6.796718 -0.000000 -0.000000\n-0.000000 6.796718 0.000000\n-0.000000 -0.000000 6.796718\nCa Sn\n1 7\ndirect\n0.000000 0.000000 0.500000 Ca\n0.260417 0.260417 0.760417 Sn\n0.000000 0.500000 0.000000 Sn\n0.260417 0.739583 0.239583 Sn\n0.500000 0.000000 0.000000 Sn\n0.739583 0.260417 0.239583 Sn\n0.500000 0.500000 0.500000 Sn\n0.739583 0.739583 0.760417 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ca",
"Sn"
],
"chemical_system": "Ca-Sn",
"density": 4.606737137530331,
"density_atomic": 0.025479578159747173,
"volume": 313.9769406637375,
"volume_molar": 23.63516665088994,
"formula_full": "Ca1 Sn7",
"formula_reduced": "CaSn7",
"formula_anonymous": "AB7",
"energy_above_hull": 0.4655562750000001,
"spacegroup": 215
}
]
}