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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1559",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=1557",
"results": [
{
"id": "jvasp-22721",
"created_at": "2022-09-04T14:35:42.934111Z",
"updated_at": "2022-09-04T14:35:42.934134Z",
"structure_string": "Pb2 Br4\n1.0\n7.097100 -0.000000 0.000000\n-0.000000 7.097100 0.000000\n0.000000 0.000000 4.575662\nPb Br\n2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.499999 Pb\n0.300673 0.300673 0.000000 Br\n0.699328 0.699328 0.000000 Br\n0.800671 0.199327 0.499999 Br\n0.199327 0.800671 0.499999 Br\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 5.288577085749342,
"density_atomic": 0.026033674177265327,
"volume": 230.47073414015748,
"volume_molar": 23.132120034209432,
"formula_full": "Pb2 Br4",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0171533333333333,
"spacegroup": 136
},
{
"id": "jvasp-117861",
"created_at": "2022-09-04T14:38:48.491777Z",
"updated_at": "2022-09-04T14:38:48.491800Z",
"structure_string": "Pb1 Br2\n1.0\n4.229494 0.000000 0.000000\n0.000000 4.311977 0.000000\n0.000000 0.000000 7.817159\nPb Br\n1 2\ndirect\n0.466445 0.000000 0.000000 Pb\n-0.033223 0.000000 0.737941 Br\n-0.033223 0.000000 0.262060 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 4.2747511135461425,
"density_atomic": 0.0210429905576755,
"volume": 142.5652875610753,
"volume_molar": 28.618274306089088,
"formula_full": "Pb1 Br2",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.13648,
"spacegroup": 47
},
{
"id": "jvasp-117872",
"created_at": "2022-09-04T14:38:54.127024Z",
"updated_at": "2022-09-04T14:38:54.127053Z",
"structure_string": "Pb1 Br2\n1.0\n4.457896 0.309889 -0.420742\n0.281384 -4.081760 -0.025392\n-0.371967 -2.043127 -5.446237\nPb Br\n1 2\ndirect\n0.969105 0.160750 -0.005275 Pb\n0.469076 0.576903 0.162574 Br\n0.969070 0.860820 0.594777 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.080489705045594,
"density_atomic": 0.029931961896882114,
"volume": 100.22730919995249,
"volume_molar": 20.119432133271896,
"formula_full": "Pb1 Br2",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.01705,
"spacegroup": 38
},
{
"id": "jvasp-5449",
"created_at": "2022-09-04T14:38:01.751895Z",
"updated_at": "2022-09-04T14:38:01.751930Z",
"structure_string": "Pb4 Br8\n1.0\n4.759235 0.000000 0.000000\n0.000000 8.039449 0.000000\n0.000000 0.000000 9.669496\nPb Br\n4 8\ndirect\n0.250000 0.734148 0.588852 Pb\n0.750001 0.265852 0.411148 Pb\n0.250000 0.234148 0.911148 Pb\n0.750001 0.765852 0.088852 Pb\n0.250000 0.515438 0.338355 Br\n0.750001 0.484562 0.661646 Br\n0.250000 0.015438 0.161646 Br\n0.750001 0.984562 0.838355 Br\n0.750001 0.358237 0.081505 Br\n0.250000 0.641763 0.918495 Br\n0.750001 0.858237 0.418495 Br\n0.250000 0.141763 0.581506 Br\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.588967228003749,
"density_atomic": 0.032435005332672344,
"volume": 369.97064982481106,
"volume_molar": 18.56679441928068,
"formula_full": "Pb4 Br8",
"formula_reduced": "PbBr2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-117868",
"created_at": "2022-09-04T14:38:53.163267Z",
"updated_at": "2022-09-04T14:38:53.163301Z",
"structure_string": "Pb2 Br2\n1.0\n3.929330 0.000000 0.000000\n0.000000 3.929330 0.000000\n-0.000000 0.000000 7.953610\nPb Br\n2 2\ndirect\n0.000000 0.000000 0.634681 Pb\n0.500000 0.500000 0.365319 Pb\n0.000000 0.000000 0.164221 Br\n0.500000 0.500000 0.835779 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.7645633285707145,
"density_atomic": 0.03257306991246795,
"volume": 122.80082935839354,
"volume_molar": 18.488096996024662,
"formula_full": "Pb2 Br2",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.059115205,
"spacegroup": 129
},
{
"id": "jvasp-117866",
"created_at": "2022-09-04T14:38:53.596075Z",
"updated_at": "2022-09-04T14:38:53.596103Z",
"structure_string": "Pb1 Br1\n1.0\n4.391408 -0.000000 -0.000000\n0.000000 4.391408 0.000000\n0.000000 0.000000 3.560167\nPb Br\n1 1\ndirect\n0.500001 0.500001 0.000000 Pb\n0.000000 0.000000 0.000000 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 6.944010885447633,
"density_atomic": 0.029130775611338908,
"volume": 68.655913137497,
"volume_molar": 20.672778646017008,
"formula_full": "Pb1 Br1",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.021395205,
"spacegroup": 123
},
{
"id": "jvasp-117858",
"created_at": "2022-09-04T14:38:53.003326Z",
"updated_at": "2022-09-04T14:38:53.003366Z",
"structure_string": "Pb2 Br2\n1.0\n6.065762 -0.075422 -1.430957\n-2.287997 -3.023995 0.721456\n1.894125 -3.787432 -6.779521\nPb Br\n2 2\ndirect\n0.174097 0.376168 0.616685 Pb\n0.674233 0.376481 0.116552 Pb\n0.039502 0.144026 0.251337 Br\n0.539488 0.144151 0.751314 Br\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.854123439909183,
"density_atomic": 0.0329487829621976,
"volume": 121.40053866600266,
"volume_molar": 18.277278304662264,
"formula_full": "Pb2 Br2",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 2.520500000002812e-05,
"spacegroup": 38
},
{
"id": "jvasp-117864",
"created_at": "2022-09-04T14:38:48.546692Z",
"updated_at": "2022-09-04T14:38:48.546718Z",
"structure_string": "Pb1 Br1\n1.0\n3.483940 -0.318547 -0.017561\n-0.666519 -3.902780 0.261654\n-0.055192 -0.313011 -4.800790\nPb Br\n1 1\ndirect\n0.966946 0.481741 0.491578 Pb\n0.968339 0.981636 0.991629 Br\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pb",
"Br"
],
"chemical_system": "Br-Pb",
"density": 7.159881411016936,
"density_atomic": 0.030036372671193717,
"volume": 66.58593638765487,
"volume_molar": 20.049494078143177,
"formula_full": "Pb1 Br1",
"formula_reduced": "PbBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.012880205,
"spacegroup": 10
},
{
"id": "jvasp-36809",
"created_at": "2022-09-04T14:37:34.324519Z",
"updated_at": "2022-09-04T14:37:34.324532Z",
"structure_string": "Pb1 Au1 O2\n1.0\n-3.572749 -0.000000 1.058623\n-1.943212 3.179488 -0.000000\n-3.580441 -0.004701 -5.525488\nPb Au O\n1 1 2\ndirect\n0.499999 0.500001 0.500000 Pb\n0.000000 0.000000 0.000000 Au\n0.106273 0.106274 0.681181 O\n0.893726 0.893728 0.318820 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pb",
"Au",
"O"
],
"chemical_system": "Au-O-Pb",
"density": 9.679144993037086,
"density_atomic": 0.05345603089791574,
"volume": 74.82785258858343,
"volume_molar": 11.265596526424495,
"formula_full": "Pb1 Au1 O2",
"formula_reduced": "PbAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1970538475,
"spacegroup": 166
},
{
"id": "jvasp-36823",
"created_at": "2022-09-04T14:37:54.212684Z",
"updated_at": "2022-09-04T14:37:54.212717Z",
"structure_string": "Pb2 Au2 O4\n1.0\n-1.557677 -3.149550 -1.014004\n0.002618 0.008446 6.564509\n-5.649400 3.118661 -1.008316\nPb Au O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Pb\n0.000000 -0.000000 0.500000 Pb\n0.250173 0.500347 0.223754 Au\n0.749827 0.499653 0.776247 Au\n0.589513 0.179026 0.723737 O\n0.910628 0.821257 0.821727 O\n0.410486 0.820974 0.276263 O\n0.089371 0.178743 0.178273 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pb",
"Au",
"O"
],
"chemical_system": "Au-O-Pb",
"density": 9.74524957054246,
"density_atomic": 0.05382111359273672,
"volume": 148.6405513742402,
"volume_molar": 11.189179037746074,
"formula_full": "Pb2 Au2 O4",
"formula_reduced": "PbAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1958638475,
"spacegroup": 12
},
{
"id": "jvasp-36847",
"created_at": "2022-09-04T14:37:47.696903Z",
"updated_at": "2022-09-04T14:37:47.696931Z",
"structure_string": "Pb2 Au2 O4\n1.0\n3.672459 0.017274 0.004696\n0.090895 5.581135 0.064695\n0.896138 0.287230 6.831997\nPb Au O\n2 2 4\ndirect\n0.325393 0.507463 0.257028 Pb\n0.674609 0.492537 0.742974 Pb\n0.000000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n0.217337 0.311320 0.564053 O\n0.886784 0.179878 0.248510 O\n0.113217 0.820122 0.751492 O\n0.782665 0.688680 0.435949 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pb",
"Au",
"O"
],
"chemical_system": "Au-O-Pb",
"density": 10.351839014807807,
"density_atomic": 0.057171188841978686,
"volume": 139.93062173522438,
"volume_molar": 10.53352375904796,
"formula_full": "Pb2 Au2 O4",
"formula_reduced": "PbAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1865938475000002,
"spacegroup": 2
},
{
"id": "jvasp-36800",
"created_at": "2022-09-04T14:38:06.109625Z",
"updated_at": "2022-09-04T14:38:06.109647Z",
"structure_string": "Pb2 Au2 O4\n1.0\n1.863531 -3.227731 0.000000\n1.863531 3.227731 0.000000\n0.000000 -0.000000 12.463561\nPb Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.666667 0.333333 0.750000 Au\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.591048 O\n0.333333 0.666667 0.091048 O\n0.333333 0.666667 0.408952 O\n0.666667 0.333333 0.908952 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Pb",
"Au",
"O"
],
"chemical_system": "Au-O-Pb",
"density": 9.661046646638194,
"density_atomic": 0.05335607725893251,
"volume": 149.9360599763862,
"volume_molar": 11.286700727219998,
"formula_full": "Pb2 Au2 O4",
"formula_reduced": "PbAuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.1970363475,
"spacegroup": 194
}
]
}