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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3624",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3622",
"results": [
{
"id": "jvasp-10570",
"created_at": "2022-09-04T14:37:18.992041Z",
"updated_at": "2022-09-04T14:37:18.992059Z",
"structure_string": "K2 Sb4 Se8\n1.0\n6.412547 0.202062 -0.061706\n1.792753 6.868781 -0.101325\n1.015215 1.402270 9.431720\nK Sb Se\n2 4 8\ndirect\n0.818683 0.811479 0.438515 K\n0.181318 0.188521 0.561484 K\n0.551384 0.401795 0.831121 Sb\n0.448617 0.598205 0.168878 Sb\n0.844954 0.813551 0.949539 Sb\n0.155047 0.186449 0.050460 Sb\n0.233177 0.855865 0.874136 Se\n0.766824 0.144135 0.125863 Se\n0.080733 0.496037 0.217580 Se\n0.919268 0.503962 0.782419 Se\n0.608754 0.393638 0.415293 Se\n0.391247 0.606362 0.584706 Se\n0.685457 0.066250 0.717691 Se\n0.314544 0.933749 0.282308 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"Sb",
"Se"
],
"chemical_system": "K-Sb-Se",
"density": 4.810293369650586,
"density_atomic": 0.03388337106404731,
"volume": 413.1820288346399,
"volume_molar": 17.773145265318426,
"formula_full": "K2 Sb4 Se8",
"formula_reduced": "K(SbSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.205780523809524,
"spacegroup": 2
},
{
"id": "jvasp-10271",
"created_at": "2022-09-04T14:38:08.938269Z",
"updated_at": "2022-09-04T14:38:08.938280Z",
"structure_string": "K6 Sb2 Se8\n1.0\n7.981181 -0.045513 -0.173419\n-0.176236 7.979365 -0.173419\n-0.044773 -0.045513 7.982940\nK Sb Se\n6 2 8\ndirect\n0.465206 0.520097 -0.000043 K\n-0.000043 0.465206 0.520097 K\n0.520097 -0.000042 0.465206 K\n0.020096 0.965207 0.499957 K\n0.499958 0.020097 0.965206 K\n0.965206 0.499958 0.020096 K\n0.001030 0.001030 0.001030 Sb\n0.501030 0.501030 0.501030 Sb\n0.200261 0.821400 0.167542 Se\n0.313007 0.313008 0.313007 Se\n0.321400 0.700262 0.667542 Se\n0.167543 0.200262 0.821400 Se\n0.821400 0.167543 0.200261 Se\n0.700261 0.667543 0.321400 Se\n0.667542 0.321400 0.700261 Se\n0.813007 0.813008 0.813007 Se\n",
"nsites": 16,
"nelements": 3,
"elements": [
"K",
"Sb",
"Se"
],
"chemical_system": "K-Sb-Se",
"density": 3.626222330607478,
"density_atomic": 0.03148361437024576,
"volume": 508.2008632122343,
"volume_molar": 19.12785707885988,
"formula_full": "K6 Sb2 Se8",
"formula_reduced": "K3SbSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.5246741958333334,
"spacegroup": 161
},
{
"id": "jvasp-49344",
"created_at": "2022-09-04T14:38:07.961036Z",
"updated_at": "2022-09-04T14:38:07.961063Z",
"structure_string": "K12 Sb4 Se12\n1.0\n9.742972 0.000000 0.000000\n0.000000 9.742972 -0.000000\n-0.000000 0.000000 9.742972\nK Sb Se\n12 4 12\ndirect\n0.821727 0.178273 0.678273 K\n0.186491 0.313508 0.686491 K\n0.313508 0.686491 0.186491 K\n0.686491 0.186491 0.313508 K\n0.813508 0.813508 0.813508 K\n0.425332 0.074668 0.925331 K\n0.074668 0.925331 0.425332 K\n0.925331 0.425332 0.074668 K\n0.574668 0.574668 0.574668 K\n0.678273 0.821727 0.178273 K\n0.178273 0.678273 0.821727 K\n0.321727 0.321727 0.321727 K\n0.967913 0.532086 0.467913 Sb\n0.532086 0.467913 0.967913 Sb\n0.467913 0.967913 0.532086 Sb\n0.032087 0.032087 0.032087 Sb\n0.223353 0.608224 0.498960 Se\n0.776647 0.108224 0.001040 Se\n0.998960 0.276647 0.391776 Se\n0.723353 0.891776 0.501040 Se\n0.108224 0.001040 0.776647 Se\n0.501040 0.723353 0.891776 Se\n0.001040 0.776647 0.108224 Se\n0.391776 0.998960 0.276647 Se\n0.498960 0.223353 0.608224 Se\n0.891776 0.501040 0.723353 Se\n0.608224 0.498960 0.223353 Se\n0.276647 0.391776 0.998960 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Sb",
"Se"
],
"chemical_system": "K-Sb-Se",
"density": 3.418080431353455,
"density_atomic": 0.030274966272924777,
"volume": 924.8565216417994,
"volume_molar": 19.89148627189608,
"formula_full": "K12 Sb4 Se12",
"formula_reduced": "K3SbSe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.3411071714285715,
"spacegroup": 198
},
{
"id": "jvasp-120528",
"created_at": "2022-09-04T14:38:51.099731Z",
"updated_at": "2022-09-04T14:38:51.099765Z",
"structure_string": "K1 U2 Sb1 Se8\n1.0\n6.874206 0.012557 1.064741\n-2.505567 6.401328 1.064741\n0.026465 0.038855 7.415028\nK U Sb Se\n1 2 1 8\ndirect\n0.117791 0.117791 0.529416 K\n0.495224 -0.004069 0.016550 U\n-0.004070 0.495224 0.016550 U\n0.582066 0.582066 0.665592 Sb\n0.063904 0.809134 0.234820 Se\n0.809134 0.063905 0.234820 Se\n0.781334 0.781334 0.893804 Se\n0.269343 0.269343 0.898009 Se\n0.574799 0.314664 0.239494 Se\n0.314664 0.574799 0.239494 Se\n0.812435 0.320349 0.732464 Se\n0.320349 0.812435 0.732464 Se\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"U",
"Sb",
"Se"
],
"chemical_system": "K-Sb-Se-U",
"density": 6.462683310996012,
"density_atomic": 0.03681473211465015,
"volume": 325.95646662942,
"volume_molar": 16.357964363955084,
"formula_full": "K1 U2 Sb1 Se8",
"formula_reduced": "KU2SbSe8",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.337476919444444,
"spacegroup": 8
},
{
"id": "jvasp-110232",
"created_at": "2022-09-04T14:38:16.254825Z",
"updated_at": "2022-09-04T14:38:16.254843Z",
"structure_string": "K3 Sn1 Sb3\n1.0\n9.069327 0.011372 0.850196\n8.020735 4.233277 0.850196\n-0.024106 -0.005987 6.938617\nK Sn Sb\n3 1 3\ndirect\n0.001933 0.001933 0.996334 K\n0.706057 0.706057 0.751704 K\n0.288979 0.288979 0.255730 K\n0.086964 0.086964 0.511227 Sn\n0.369760 0.369759 0.752542 Sb\n0.625670 0.625670 0.240699 Sb\n0.920634 0.920635 0.491769 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"K",
"Sn",
"Sb"
],
"chemical_system": "K-Sb-Sn",
"density": 3.7556718201661723,
"density_atomic": 0.026330328684547835,
"volume": 265.8531188069827,
"volume_molar": 22.8714986134379,
"formula_full": "K3 Sn1 Sb3",
"formula_reduced": "K3SnSb3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.4010132446428573,
"spacegroup": 8
},
{
"id": "jvasp-2238",
"created_at": "2022-09-04T14:36:44.363401Z",
"updated_at": "2022-09-04T14:36:44.363424Z",
"structure_string": "K2 Sn2 Sb2\n1.0\n2.220402 -3.845850 0.000000\n2.220402 3.845850 0.000000\n0.000000 0.000000 12.931363\nK Sn Sb\n2 2 2\ndirect\n0.666667 0.333333 0.000745 K\n0.333333 0.666667 0.500745 K\n0.000000 0.000000 0.701327 Sn\n0.000000 0.000000 0.201327 Sn\n0.666667 0.333333 0.313427 Sb\n0.333333 0.666667 0.813427 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Sn",
"Sb"
],
"chemical_system": "K-Sb-Sn",
"density": 4.204058674884353,
"density_atomic": 0.027167707975691603,
"volume": 220.8504304216064,
"volume_molar": 22.166539648424997,
"formula_full": "K2 Sn2 Sb2",
"formula_reduced": "KSnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2414273458333334,
"spacegroup": 186
},
{
"id": "jvasp-55274",
"created_at": "2022-09-04T14:38:33.862440Z",
"updated_at": "2022-09-04T14:38:33.862459Z",
"structure_string": "K16 Sn2 Sb8\n1.0\n9.970494 -0.000000 5.756467\n3.323498 9.400271 5.756467\n-0.000000 -0.000000 11.512934\nK Sn Sb\n16 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.149066 0.600934 0.600934 K\n0.399066 0.850934 0.850934 K\n0.600934 0.149066 0.600934 K\n0.149066 0.149066 0.600934 K\n0.149066 0.600934 0.149066 K\n0.399066 0.850934 0.399066 K\n0.850934 0.399066 0.850934 K\n0.600934 0.600934 0.149066 K\n0.399066 0.399066 0.850934 K\n0.850934 0.850934 0.399067 K\n0.600934 0.149066 0.149066 K\n0.850934 0.399066 0.399066 K\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.125000 0.125000 0.125000 Sn\n0.875000 0.875000 0.875000 Sn\n0.229342 0.229342 0.811973 Sb\n0.229342 0.229342 0.229342 Sb\n0.770658 0.770657 0.188028 Sb\n0.188027 0.770657 0.770658 Sb\n0.770657 0.188027 0.770658 Sb\n0.811973 0.229342 0.229343 Sb\n0.229343 0.811973 0.229343 Sb\n0.770658 0.770657 0.770658 Sb\n",
"nsites": 26,
"nelements": 3,
"elements": [
"K",
"Sn",
"Sb"
],
"chemical_system": "K-Sb-Sn",
"density": 2.827042900199381,
"density_atomic": 0.024095185962228115,
"volume": 1079.0537180645915,
"volume_molar": 24.99312837610125,
"formula_full": "K16 Sn2 Sb8",
"formula_reduced": "K8SnSb4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 0.0,
"spacegroup": 227
},
{
"id": "jvasp-97395",
"created_at": "2022-09-04T14:36:05.251799Z",
"updated_at": "2022-09-04T14:36:05.251817Z",
"structure_string": "K20 Sn4 Sb12\n1.0\n8.664965 0.000000 0.000000\n0.000000 9.861907 -0.026974\n0.000000 -0.016020 16.055330\nK Sn Sb\n20 4 12\ndirect\n0.162698 0.576218 0.258550 K\n0.503247 0.306584 0.242211 K\n0.003246 0.193416 0.257790 K\n0.996754 0.806584 0.742211 K\n0.980809 0.830242 0.421585 K\n0.480809 0.669758 0.078416 K\n0.019192 0.169758 0.578416 K\n0.519192 0.330242 0.921584 K\n0.493780 0.696347 0.411262 K\n0.993780 0.803653 0.088739 K\n0.496754 0.693416 0.757790 K\n0.006220 0.196347 0.911262 K\n0.324400 0.079301 0.078762 K\n0.824401 0.420699 0.421239 K\n0.675600 0.920699 0.921239 K\n0.175600 0.579301 0.578762 K\n0.337302 0.076218 0.758550 K\n0.506221 0.303653 0.588738 K\n0.837303 0.423782 0.741450 K\n0.662698 0.923782 0.241450 K\n0.644242 0.925664 0.588314 Sn\n0.144242 0.574337 0.911686 Sn\n0.355759 0.074337 0.411686 Sn\n0.855759 0.425664 0.088314 Sn\n0.737328 0.081895 0.731303 Sb\n0.260722 0.848213 0.918872 Sb\n0.760722 0.651787 0.581129 Sb\n0.739279 0.151787 0.081129 Sb\n0.239279 0.348213 0.418871 Sb\n0.195337 0.417697 0.065881 Sb\n0.695338 0.082303 0.434119 Sb\n0.804663 0.582303 0.934120 Sb\n0.304663 0.917697 0.565881 Sb\n0.262673 0.918106 0.268697 Sb\n0.762673 0.581895 0.231303 Sb\n0.237328 0.418106 0.768697 Sb\n",
"nsites": 36,
"nelements": 3,
"elements": [
"K",
"Sn",
"Sb"
],
"chemical_system": "K-Sb-Sn",
"density": 3.2895838352960225,
"density_atomic": 0.02623957122355413,
"volume": 1371.9736383376705,
"volume_molar": 22.950606580774398,
"formula_full": "K20 Sn4 Sb12",
"formula_reduced": "K5SnSb3",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.1071645763888889,
"spacegroup": 14
},
{
"id": "jvasp-99143",
"created_at": "2022-09-04T14:36:18.837899Z",
"updated_at": "2022-09-04T14:36:18.837919Z",
"structure_string": "K12 Sb4 Te12\n1.0\n10.322702 -0.000000 0.000000\n0.000000 10.322702 -0.000000\n-0.000000 0.000000 10.322702\nK Sb Te\n12 4 12\ndirect\n0.576367 0.576367 0.576367 K\n0.923632 0.423632 0.076367 K\n0.076367 0.923632 0.423632 K\n0.423632 0.076367 0.923632 K\n0.327109 0.327109 0.327109 K\n0.172891 0.672891 0.827109 K\n0.827109 0.172891 0.672891 K\n0.672891 0.827109 0.172891 K\n0.817538 0.817538 0.817538 K\n0.682462 0.182462 0.317538 K\n0.317538 0.682462 0.182462 K\n0.182462 0.317538 0.682462 K\n0.966681 0.533319 0.466681 Sb\n0.533319 0.466681 0.966681 Sb\n0.466681 0.966681 0.533319 Sb\n0.033319 0.033319 0.033319 Sb\n0.227401 0.615540 0.501102 Te\n0.501102 0.227401 0.615540 Te\n0.615540 0.501102 0.227401 Te\n0.884459 0.498897 0.727401 Te\n0.001103 0.272599 0.384459 Te\n0.384459 0.001103 0.272599 Te\n-0.001103 0.772599 0.115540 Te\n0.498897 0.727401 0.884459 Te\n0.115540 -0.001103 0.772599 Te\n0.727401 0.884459 0.498897 Te\n0.772599 0.115540 -0.001103 Te\n0.272599 0.384459 0.001103 Te\n",
"nsites": 28,
"nelements": 3,
"elements": [
"K",
"Sb",
"Te"
],
"chemical_system": "K-Sb-Te",
"density": 3.7550694973778027,
"density_atomic": 0.02545527897138776,
"volume": 1099.9683025070185,
"volume_molar": 23.657728390126877,
"formula_full": "K12 Sb4 Te12",
"formula_reduced": "K3SbTe3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 0.1348247714285715,
"spacegroup": 198
},
{
"id": "jvasp-86994",
"created_at": "2022-09-04T14:36:09.757530Z",
"updated_at": "2022-09-04T14:36:09.757550Z",
"structure_string": "K2 Zn2 Sb2\n1.0\n4.576070 0.000000 0.000000\n-2.288035 3.962994 -0.000000\n0.000000 0.000000 10.383511\nK Zn Sb\n2 2 2\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.333332 0.666666 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n0.333332 0.666666 0.250000 Sb\n0.666667 0.333333 0.750000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"Zn",
"Sb"
],
"chemical_system": "K-Sb-Zn",
"density": 3.9906219435613113,
"density_atomic": 0.0318633144149101,
"volume": 188.30432772531543,
"volume_molar": 18.899919454650338,
"formula_full": "K2 Zn2 Sb2",
"formula_reduced": "KZnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-7640",
"created_at": "2022-09-04T14:36:32.139584Z",
"updated_at": "2022-09-04T14:36:32.139609Z",
"structure_string": "K1 Zn1 Sb1\n1.0\n2.280226 -3.949468 0.000000\n2.280226 3.949468 -0.000000\n-0.000000 0.000000 5.290211\nK Zn Sb\n1 1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.333334 0.666668 0.500000 Zn\n0.666668 0.333334 0.500000 Sb\n",
"nsites": 3,
"nelements": 3,
"elements": [
"K",
"Zn",
"Sb"
],
"chemical_system": "K-Sb-Zn",
"density": 3.9432236455949066,
"density_atomic": 0.031484860406438595,
"volume": 95.28389077394498,
"volume_molar": 19.12710008003873,
"formula_full": "K1 Zn1 Sb1",
"formula_reduced": "KZnSb",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0046,
"spacegroup": 187
},
{
"id": "jvasp-39265",
"created_at": "2022-09-04T14:37:50.851200Z",
"updated_at": "2022-09-04T14:37:50.851220Z",
"structure_string": "K3 Sc1\n1.0\n0.000000 4.727501 4.727501\n4.727501 0.000000 4.727501\n4.727501 4.727501 -0.000000\nK Sc\n3 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500001 0.500001 0.500001 K\n0.250000 0.250000 0.250000 K\n0.749999 0.749999 0.749999 Sc\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sc"
],
"chemical_system": "K-Sc",
"density": 1.2750026652059812,
"density_atomic": 0.018929324118018,
"volume": 211.3123519393159,
"volume_molar": 31.81381819263049,
"formula_full": "K3 Sc1",
"formula_reduced": "K3Sc",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0986598124999999,
"spacegroup": 225
}
]
}