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=-structure_string&page=3853",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-structure_string&page=3851",
"results": [
{
"id": "jvasp-10734",
"created_at": "2022-09-04T14:38:14.427411Z",
"updated_at": "2022-09-04T14:38:14.427427Z",
"structure_string": "Ca1 Sb4 O8\n1.0\n3.250893 -0.000038 -0.000081\n-1.625261 7.964010 -0.052142\n-1.625178 -2.421378 7.727750\nCa Sb O\n1 4 8\ndirect\n0.522871 0.106278 0.939587 Ca\n0.739423 0.136644 0.342323 Sb\n0.620934 0.499349 0.742650 Sb\n0.335704 0.496293 0.175252 Sb\n0.188309 0.830594 0.546186 Sb\n0.532796 0.644665 0.421066 O\n0.794447 0.351401 0.237618 O\n0.165003 0.642799 0.687348 O\n0.410694 0.301887 0.519632 O\n0.113369 0.070316 0.156525 O\n0.133642 0.325948 0.941463 O\n0.835312 0.940244 0.730537 O\n0.879359 0.629686 0.129171 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"O"
],
"chemical_system": "Ca-O-Sb",
"density": 5.44846027089127,
"density_atomic": 0.0651105993502925,
"volume": 199.6602723630373,
"volume_molar": 9.249094341154988,
"formula_full": "Ca1 Sb4 O8",
"formula_reduced": "Ca(SbO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.2652871400000003,
"spacegroup": 8
},
{
"id": "jvasp-81845",
"created_at": "2022-09-04T14:37:18.050839Z",
"updated_at": "2022-09-04T14:37:18.050865Z",
"structure_string": "Ca1 Sb1 Rh2\n1.0\n-9.435701 0.000000 -5.447706\n-6.183584 0.219089 -0.185128\n-5.309708 2.690783 -1.698725\nCa Sb Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000001 -0.000000 Sb\n0.737256 -0.000001 -0.000000 Rh\n0.262745 -0.000000 -0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Rh"
],
"chemical_system": "Ca-Rh-Sb",
"density": 7.345035824201561,
"density_atomic": 0.0481250754234287,
"volume": 83.11675285297699,
"volume_molar": 12.513519629868975,
"formula_full": "Ca1 Sb1 Rh2",
"formula_reduced": "CaSbRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7894031300000002,
"spacegroup": 71
},
{
"id": "jvasp-104840",
"created_at": "2022-09-04T14:36:46.132444Z",
"updated_at": "2022-09-04T14:36:46.132463Z",
"structure_string": "Ca1 Sb1 Pd2\n1.0\n4.156977 0.000000 2.400032\n1.385659 3.919235 2.400032\n-0.000000 0.000000 4.800064\nCa Sb Pd\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Sb\n0.750000 0.750001 0.749998 Pd\n0.250000 0.250000 0.249999 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Pd"
],
"chemical_system": "Ca-Pd-Sb",
"density": 7.955753827194844,
"density_atomic": 0.05114863367033343,
"volume": 78.20345751132017,
"volume_molar": 11.773805726296233,
"formula_full": "Ca1 Sb1 Pd2",
"formula_reduced": "CaSbPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.94035698,
"spacegroup": 225
},
{
"id": "jvasp-79681",
"created_at": "2022-09-04T14:37:14.586147Z",
"updated_at": "2022-09-04T14:37:14.586171Z",
"structure_string": "Ca1 Sb1 Pd2\n1.0\n-11.262639 3.024146 -1.564079\n-8.174352 0.776574 1.342115\n-6.790606 4.690401 -1.054605\nCa Sb Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 0.000001 Sb\n0.753237 0.997816 0.997817 Pd\n0.246764 0.002183 0.002183 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Pd"
],
"chemical_system": "Ca-Pd-Sb",
"density": 7.954940306782808,
"density_atomic": 0.051143403435909084,
"volume": 78.21145507088991,
"volume_molar": 11.77500978703287,
"formula_full": "Ca1 Sb1 Pd2",
"formula_reduced": "CaSbPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9425394800000002,
"spacegroup": 225
},
{
"id": "jvasp-115800",
"created_at": "2022-09-04T14:38:39.866833Z",
"updated_at": "2022-09-04T14:38:39.866877Z",
"structure_string": "Ca1 Sb1 N1\n1.0\n4.858394 0.000000 0.000000\n-2.429197 4.207493 -0.000000\n-0.000000 0.000000 3.632939\nCa Sb N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666665 0.333333 0.000000 Sb\n0.333332 0.666667 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"N"
],
"chemical_system": "Ca-N-Sb",
"density": 3.9319151831409016,
"density_atomic": 0.04039680473299193,
"volume": 74.26329928391367,
"volume_molar": 14.907468052991177,
"formula_full": "Ca1 Sb1 N1",
"formula_reduced": "CaSbN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.207669923333333,
"spacegroup": 187
},
{
"id": "jvasp-8338",
"created_at": "2022-09-04T14:37:08.426645Z",
"updated_at": "2022-09-04T14:37:08.426669Z",
"structure_string": "Ca1 Sb1 F6\n1.0\n4.950518 0.181156 3.438164\n1.893957 4.577485 3.438164\n0.260562 0.181156 6.021685\nCa Sb F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Sb\n0.384392 0.086825 0.764159 F\n0.086824 0.764160 0.384391 F\n0.235841 0.615609 0.913175 F\n0.913176 0.235843 0.615607 F\n0.615608 0.913178 0.235839 F\n0.764159 0.384393 0.086823 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"F"
],
"chemical_system": "Ca-F-Sb",
"density": 3.5630391079267243,
"density_atomic": 0.06223324807782443,
"volume": 128.54864958993903,
"volume_molar": 9.676725779231615,
"formula_full": "Ca1 Sb1 F6",
"formula_reduced": "CaSbF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 148
},
{
"id": "jvasp-113742",
"created_at": "2022-09-04T14:38:48.472485Z",
"updated_at": "2022-09-04T14:38:48.472518Z",
"structure_string": "Ca1 Sb1 Au1\n1.0\n5.343674 -0.000000 -0.000000\n-2.671837 4.627757 0.000000\n0.000000 -0.000000 3.325205\nCa Sb Au\n1 1 1\ndirect\n0.333333 0.666667 -0.000000 Ca\n0.666666 0.333333 0.000000 Sb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 7.245663076944564,
"density_atomic": 0.03648314993779301,
"volume": 82.22974181547549,
"volume_molar": 16.50663599570838,
"formula_full": "Ca1 Sb1 Au1",
"formula_reduced": "CaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.3764746966666669,
"spacegroup": 187
},
{
"id": "jvasp-113743",
"created_at": "2022-09-04T14:38:49.003978Z",
"updated_at": "2022-09-04T14:38:49.003997Z",
"structure_string": "Ca1 Sb1 Au1\n1.0\n3.127862 0.000000 0.000000\n0.000000 3.127862 -0.000000\n-0.000000 0.000000 8.828824\nCa Sb Au\n1 1 1\ndirect\n0.000000 0.000000 -0.001822 Ca\n0.000000 0.000000 0.639126 Sb\n0.000000 0.000000 0.317223 Au\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"Au"
],
"chemical_system": "Au-Ca-Sb",
"density": 6.897775175297968,
"density_atomic": 0.03473147499203096,
"volume": 86.37698228158584,
"volume_molar": 17.339144857457864,
"formula_full": "Ca1 Sb1 Au1",
"formula_reduced": "CaSbAu",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5344146966666669,
"spacegroup": 99
},
{
"id": "jvasp-1333",
"created_at": "2022-09-04T14:35:53.196715Z",
"updated_at": "2022-09-04T14:35:53.196734Z",
"structure_string": "Ca1 S1\n1.0\n3.480036 -0.000000 2.009200\n1.160012 3.281010 2.009200\n0.000000 0.000000 4.018400\nCa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"S"
],
"chemical_system": "Ca-S",
"density": 2.610951711117,
"density_atomic": 0.04358986659091843,
"volume": 45.88222347110103,
"volume_molar": 13.81546040623731,
"formula_full": "Ca1 S1",
"formula_reduced": "CaS",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-108175",
"created_at": "2022-09-04T14:35:56.061519Z",
"updated_at": "2022-09-04T14:35:56.061550Z",
"structure_string": "Ca1 Ru2 N2\n1.0\n3.197153 0.007321 -0.023263\n-1.604530 2.764933 -0.000000\n0.052259 0.030327 7.073292\nCa Ru N\n1 2 2\ndirect\n0.000000 0.000001 0.500000 Ca\n0.666828 0.333414 0.160114 Ru\n0.333171 0.666586 0.839886 Ru\n0.666614 0.333307 0.731336 N\n0.333385 0.666692 0.268664 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"N"
],
"chemical_system": "Ca-N-Ru",
"density": 7.166504891460569,
"density_atomic": 0.0798532317645515,
"volume": 62.614873431078884,
"volume_molar": 7.541511629430825,
"formula_full": "Ca1 Ru2 N2",
"formula_reduced": "Ca(RuN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.955633584000001,
"spacegroup": 164
},
{
"id": "jvasp-36594",
"created_at": "2022-09-04T14:37:10.011914Z",
"updated_at": "2022-09-04T14:37:10.011941Z",
"structure_string": "Ca1 Ru1 O3\n1.0\n3.903752 0.000000 -0.000000\n0.000000 3.903752 -0.000000\n0.000000 0.000000 3.903752\nCa Ru O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ru\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"O"
],
"chemical_system": "Ca-O-Ru",
"density": 5.279588313449001,
"density_atomic": 0.08404721847287538,
"volume": 59.49036851961559,
"volume_molar": 7.1651874617879585,
"formula_full": "Ca1 Ru1 O3",
"formula_reduced": "CaRuO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.024010284,
"spacegroup": 221
},
{
"id": "jvasp-107580",
"created_at": "2022-09-04T14:36:57.650747Z",
"updated_at": "2022-09-04T14:36:57.650767Z",
"structure_string": "Ca1 Ru1 N2\n1.0\n3.072163 0.001274 4.511851\n1.391178 2.739126 4.511851\n0.002074 0.001274 5.458478\nCa Ru N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.499999 0.499999 0.500001 Ru\n0.766477 0.766477 0.766480 N\n0.233521 0.233521 0.233522 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Ru",
"N"
],
"chemical_system": "Ca-N-Ru",
"density": 6.121358381278092,
"density_atomic": 0.0871680698485629,
"volume": 45.888362641838924,
"volume_molar": 6.908654476876987,
"formula_full": "Ca1 Ru1 N2",
"formula_reduced": "CaRuN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.469791855,
"spacegroup": 166
}
]
}