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=density_atomic&page=1089",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=1087",
"results": [
{
"id": "jvasp-120084",
"created_at": "2022-09-04T14:38:53.513943Z",
"updated_at": "2022-09-04T14:38:53.513978Z",
"structure_string": "In1 Ge1 Cl1\n1.0\n5.253467 -0.000000 0.000000\n-2.626733 4.549636 0.000000\n-0.000000 0.000000 3.076641\nIn Ge Cl\n1 1 1\ndirect\n0.666668 0.333334 0.000000 In\n0.333335 0.666667 0.000000 Ge\n0.000000 0.000000 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"In",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-In",
"density": 5.033627969433325,
"density_atomic": 0.04079639341603966,
"volume": 73.53591209414381,
"volume_molar": 14.761453784864013,
"formula_full": "In1 Ge1 Cl1",
"formula_reduced": "InGeCl",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1156868711111111,
"spacegroup": 187
},
{
"id": "jvasp-118545",
"created_at": "2022-09-04T14:38:48.573483Z",
"updated_at": "2022-09-04T14:38:48.573500Z",
"structure_string": "In2 I2 O2\n1.0\n3.856285 0.000000 0.000000\n0.000000 4.081301 0.000000\n0.000000 0.000000 9.344604\nIn I O\n2 2 2\ndirect\n0.500001 0.500000 0.893465 In\n0.000000 0.000000 0.106535 In\n0.000000 0.500000 0.661276 I\n0.500001 0.000000 0.338723 I\n0.000000 0.500000 0.028541 O\n0.500001 0.000000 0.971458 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"In",
"I",
"O"
],
"chemical_system": "I-In-O",
"density": 5.819714991196168,
"density_atomic": 0.040796471256603524,
"volume": 147.07154357201443,
"volume_molar": 14.761425619685735,
"formula_full": "In2 I2 O2",
"formula_reduced": "InIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0921032483333336,
"spacegroup": 59
},
{
"id": "jvasp-78742",
"created_at": "2022-09-04T14:36:31.844485Z",
"updated_at": "2022-09-04T14:36:31.844506Z",
"structure_string": "Ca1 Ag1 P1\n1.0\n4.072529 -0.000000 2.351275\n1.357510 3.839617 2.351275\n-0.000000 -0.000000 4.702551\nCa Ag P\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 P\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Ag",
"P"
],
"chemical_system": "Ag-Ca-P",
"density": 4.040380710776782,
"density_atomic": 0.04079769708317146,
"volume": 73.53356229603123,
"volume_molar": 14.760982091030963,
"formula_full": "Ca1 Ag1 P1",
"formula_reduced": "CaAgP",
"formula_anonymous": "ABC",
"energy_above_hull": 0.6087943933333333,
"spacegroup": 216
},
{
"id": "jvasp-68846",
"created_at": "2022-09-04T14:35:56.270907Z",
"updated_at": "2022-09-04T14:35:56.270934Z",
"structure_string": "Na1 Y2 Be1\n1.0\n-2.190867 2.190867 5.106528\n2.190867 -2.190867 5.106528\n2.190867 2.190867 -5.106528\nNa Y Be\n1 2 1\ndirect\n0.750001 0.250000 0.500001 Na\n0.000000 0.000000 0.000000 Y\n0.250000 0.750001 0.500001 Y\n0.500000 0.500000 0.000000 Be\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Y",
"Be"
],
"chemical_system": "Be-Na-Y",
"density": 3.5535718633483064,
"density_atomic": 0.04079831762842845,
"volume": 98.04325846055922,
"volume_molar": 14.760757575463712,
"formula_full": "Na1 Y2 Be1",
"formula_reduced": "NaY2Be",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8495165,
"spacegroup": 119
},
{
"id": "jvasp-7960",
"created_at": "2022-09-04T14:37:05.197708Z",
"updated_at": "2022-09-04T14:37:05.197727Z",
"structure_string": "Ca2 Mn2 Sn2\n1.0\n4.491769 0.000000 0.000000\n0.000000 4.491769 0.000000\n0.000000 0.000000 7.289030\nCa Mn Sn\n2 2 2\ndirect\n0.500000 0.000000 0.675574 Ca\n0.000000 0.500000 0.324426 Ca\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.500000 0.779875 Sn\n0.500000 0.000000 0.220125 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Sn"
],
"chemical_system": "Ca-Mn-Sn",
"density": 4.8264963000175065,
"density_atomic": 0.04079873387406174,
"volume": 147.06338727375478,
"volume_molar": 14.760606980082402,
"formula_full": "Ca2 Mn2 Sn2",
"formula_reduced": "CaMnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1682864537931037,
"spacegroup": 129
},
{
"id": "jvasp-116157",
"created_at": "2022-09-04T14:38:40.656397Z",
"updated_at": "2022-09-04T14:38:40.656423Z",
"structure_string": "Hf1 Cl1\n1.0\n4.302202 0.000000 -0.000000\n-2.151101 3.725816 0.000000\n-0.000000 0.000000 3.058204\nHf Cl\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.333333 0.666667 0.000000 Cl\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Hf",
"Cl"
],
"chemical_system": "Cl-Hf",
"density": 7.2471712805330135,
"density_atomic": 0.040799171347771605,
"volume": 49.02060345667381,
"volume_molar": 14.760448707811614,
"formula_full": "Hf1 Cl1",
"formula_reduced": "HfCl",
"formula_anonymous": "AB",
"energy_above_hull": 1.7825135337500002,
"spacegroup": 187
},
{
"id": "jvasp-49151",
"created_at": "2022-09-04T14:36:47.507781Z",
"updated_at": "2022-09-04T14:36:47.507803Z",
"structure_string": "Y6 Sb8 Au6\n1.0\n8.111281 -0.000000 -2.867771\n-4.055640 7.024576 -2.867771\n0.000000 0.000000 8.603313\nY Sb Au\n6 8 6\ndirect\n0.250000 0.625000 0.375000 Y\n0.375000 0.250000 0.625000 Y\n0.125000 0.750000 0.875000 Y\n0.875000 0.125000 0.750000 Y\n0.625000 0.375000 0.250000 Y\n0.750000 0.875001 0.125000 Y\n0.820357 0.500000 0.000000 Sb\n0.179643 0.179643 0.179643 Sb\n0.000000 0.820357 0.500000 Sb\n0.679643 0.679644 0.679643 Sb\n0.500000 0.000000 0.820357 Sb\n0.000000 0.320357 0.500000 Sb\n0.500000 0.000000 0.320357 Sb\n0.320357 0.500000 0.000000 Sb\n0.750000 0.375000 0.625000 Au\n0.375000 0.625000 0.750000 Au\n0.625000 0.750000 0.375000 Au\n0.875000 0.250000 0.125000 Au\n0.250000 0.125000 0.875000 Au\n0.125000 0.875001 0.250000 Au\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Y",
"Sb",
"Au"
],
"chemical_system": "Au-Sb-Y",
"density": 9.109937705570143,
"density_atomic": 0.04079948768441722,
"volume": 490.2022337804676,
"volume_molar": 14.760334263462015,
"formula_full": "Y6 Sb8 Au6",
"formula_reduced": "Y3Sb4Au3",
"formula_anonymous": "A3B3C4",
"energy_above_hull": 1.886963346,
"spacegroup": 220
},
{
"id": "jvasp-34458",
"created_at": "2022-09-04T14:37:16.007207Z",
"updated_at": "2022-09-04T14:37:16.007234Z",
"structure_string": "Cu4 Hg4 S4 Br4\n1.0\n4.099026 0.000000 0.000000\n0.000000 9.466352 -0.000000\n0.000000 -0.000000 10.105669\nCu Hg S Br\n4 4 4 4\ndirect\n0.000000 0.202209 0.075239 Cu\n0.000000 0.202209 0.424761 Cu\n0.000000 0.797790 0.575239 Cu\n0.000000 0.797790 0.924762 Cu\n0.500000 0.775198 0.250000 Hg\n0.500000 0.224801 0.750000 Hg\n0.500000 0.500000 0.500000 Hg\n0.500000 0.500000 0.000000 Hg\n0.500000 0.243206 0.990430 S\n0.500000 0.243206 0.509570 S\n0.500000 0.756794 0.009570 S\n0.500000 0.756794 0.490430 S\n0.000000 0.550183 0.750000 Br\n0.000000 0.449817 0.250000 Br\n0.000000 0.976729 0.750000 Br\n0.000000 0.023271 0.250000 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Cu",
"Hg",
"S",
"Br"
],
"chemical_system": "Br-Cu-Hg-S",
"density": 6.370738869160806,
"density_atomic": 0.04080295261009333,
"volume": 392.12848523227007,
"volume_molar": 14.759080837964449,
"formula_full": "Cu4 Hg4 S4 Br4",
"formula_reduced": "CuHgSBr",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.0,
"spacegroup": 51
},
{
"id": "jvasp-17914",
"created_at": "2022-09-04T14:38:11.737412Z",
"updated_at": "2022-09-04T14:38:11.737431Z",
"structure_string": "Ce3 In1 C1\n1.0\n4.966978 0.000000 -0.000000\n0.000000 4.966978 0.000000\n-0.000000 0.000000 4.966978\nCe In C\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ce\n0.000000 0.500000 0.500000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ce",
"In",
"C"
],
"chemical_system": "C-Ce-In",
"density": 7.414809268802828,
"density_atomic": 0.040803112724568165,
"volume": 122.53967077833808,
"volume_molar": 14.759022922224213,
"formula_full": "Ce3 In1 C1",
"formula_reduced": "Ce3InC",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.5051792940000004,
"spacegroup": 221
},
{
"id": "jvasp-110058",
"created_at": "2022-09-04T14:38:27.381018Z",
"updated_at": "2022-09-04T14:38:27.381045Z",
"structure_string": "Yb2 Cd1 Ga1\n1.0\n4.482194 -0.000000 2.587796\n1.494065 4.225853 2.587796\n-0.000000 -0.000000 5.175592\nYb Cd Ga\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Yb\n0.749999 0.749999 0.750002 Yb\n0.499999 0.500000 0.500001 Cd\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"Ga"
],
"chemical_system": "Cd-Ga-Yb",
"density": 8.94733991434317,
"density_atomic": 0.040803265653967094,
"volume": 98.03136920270254,
"volume_molar": 14.75896760585509,
"formula_full": "Yb2 Cd1 Ga1",
"formula_reduced": "Yb2CdGa",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-94421",
"created_at": "2022-09-04T14:35:50.585946Z",
"updated_at": "2022-09-04T14:35:50.585972Z",
"structure_string": "Ca2 Mn2 Sn2\n1.0\n4.489673 0.000000 0.000000\n0.000000 4.489673 -0.000000\n0.000000 0.000000 7.294551\nCa Mn Sn\n2 2 2\ndirect\n0.250000 0.250000 0.175447 Ca\n0.750000 0.750000 0.824553 Ca\n0.750000 0.250000 0.500000 Mn\n0.250000 0.750000 0.500000 Mn\n0.250000 0.250000 0.720196 Sn\n0.750000 0.750000 0.279804 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Sn"
],
"chemical_system": "Ca-Mn-Sn",
"density": 4.827347419162673,
"density_atomic": 0.04080592844779397,
"volume": 147.0374582378696,
"volume_molar": 14.758004508351204,
"formula_full": "Ca2 Mn2 Sn2",
"formula_reduced": "CaMnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1681331204597702,
"spacegroup": 129
},
{
"id": "jvasp-88840",
"created_at": "2022-09-04T14:37:41.475246Z",
"updated_at": "2022-09-04T14:37:41.475272Z",
"structure_string": "Cu4 Sb4 Se8\n1.0\n4.034973 0.000000 0.000000\n0.000000 6.442853 0.000000\n0.000000 0.000000 15.081942\nCu Sb Se\n4 4 8\ndirect\n0.749999 0.749287 0.171796 Cu\n0.250000 0.250713 0.828204 Cu\n0.749999 0.249287 0.328204 Cu\n0.250000 0.750712 0.671796 Cu\n0.749999 0.771616 0.941377 Sb\n0.250000 0.728383 0.441377 Sb\n0.749999 0.271616 0.558623 Sb\n0.250000 0.228384 0.058623 Sb\n0.250000 0.375659 0.675582 Se\n0.749999 0.372056 0.903257 Se\n0.749999 0.624341 0.324418 Se\n0.250000 0.875658 0.824418 Se\n0.749999 0.872055 0.596743 Se\n0.250000 0.627944 0.096743 Se\n0.250000 0.127944 0.403257 Se\n0.749999 0.124341 0.175582 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cu",
"Sb",
"Se"
],
"chemical_system": "Cu-Sb-Se",
"density": 5.814510323306967,
"density_atomic": 0.04080786377433921,
"volume": 392.0812931663704,
"volume_molar": 14.75730460506693,
"formula_full": "Cu4 Sb4 Se8",
"formula_reduced": "CuSbSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9376008208333332,
"spacegroup": 62
}
]
}