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=chemical_system&page=598",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=596",
"results": [
{
"id": "jvasp-121300",
"created_at": "2022-09-04T14:38:54.716004Z",
"updated_at": "2022-09-04T14:38:54.716030Z",
"structure_string": "Au1 O1 F1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nAu O F\n1 1 1\ndirect\n0.346752 -0.018604 0.000000 Au\n0.015658 0.252647 0.000000 O\n-0.088804 -0.064552 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 2.0056812270535915,
"density_atomic": 0.015621142021024966,
"volume": 192.04741855379137,
"volume_molar": 38.55121957085225,
"formula_full": "Au1 O1 F1",
"formula_reduced": "AuOF",
"formula_anonymous": "ABC",
"energy_above_hull": null,
"spacegroup": 6
},
{
"id": "jvasp-30510",
"created_at": "2022-09-04T14:37:11.919129Z",
"updated_at": "2022-09-04T14:37:11.919148Z",
"structure_string": "Au2 O4 F2\n1.0\n0.000000 0.000000 4.283172\n5.169150 0.225456 -0.000000\n-0.844377 5.104700 -0.000000\nAu O F\n2 4 2\ndirect\n0.000000 0.724287 0.724288 Au\n0.500000 0.275713 0.275713 Au\n0.716085 0.038417 0.771743 O\n0.216085 0.961583 0.228258 O\n0.283915 0.771743 0.038418 O\n0.783915 0.228257 0.961583 O\n0.750000 0.625624 0.374377 F\n0.250000 0.374376 0.625624 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 7.234199248316218,
"density_atomic": 0.07027698568670462,
"volume": 113.83527511643804,
"volume_molar": 8.569150627556441,
"formula_full": "Au2 O4 F2",
"formula_reduced": "AuO2F",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.180523713125,
"spacegroup": 20
},
{
"id": "jvasp-102444",
"created_at": "2022-09-04T14:38:42.534619Z",
"updated_at": "2022-09-04T14:38:42.534635Z",
"structure_string": "Au1 O2 F6\n1.0\n4.667349 0.153166 0.832356\n1.260295 4.884728 0.266649\n-0.162593 -0.284295 5.138868\nAu O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.381778 0.559937 0.474671 O\n0.618223 0.440065 0.525330 O\n0.966726 0.682477 0.805007 F\n0.189818 0.101777 0.672893 F\n0.810183 0.898225 0.327108 F\n0.615879 0.226786 0.930947 F\n0.384123 0.773216 0.069054 F\n0.033275 0.317525 0.194994 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 4.872541376048871,
"density_atomic": 0.07700356121899588,
"volume": 116.87771133602853,
"volume_molar": 7.820600326357905,
"formula_full": "Au1 O2 F6",
"formula_reduced": "Au(OF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.4940962516666669,
"spacegroup": 2
},
{
"id": "jvasp-86419",
"created_at": "2022-09-04T14:36:07.454064Z",
"updated_at": "2022-09-04T14:36:07.454089Z",
"structure_string": "Au1 O2 F6\n1.0\n5.101059 -0.187166 -0.046476\n-1.263403 4.536767 -0.824139\n0.006878 0.202706 5.191991\nAu O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.560729 0.617679 0.475298 O\n0.439273 0.382322 0.524701 O\n0.685388 0.029679 0.806613 F\n0.100851 0.813267 0.677969 F\n0.899150 0.186734 0.322030 F\n0.224911 0.382674 0.929053 F\n0.775090 0.617327 0.070945 F\n0.314613 0.970322 0.193386 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 4.753941000419238,
"density_atomic": 0.07512925157633502,
"volume": 119.79355325875378,
"volume_molar": 8.015707109608577,
"formula_full": "Au1 O2 F6",
"formula_reduced": "Au(OF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.4958962516666669,
"spacegroup": 2
},
{
"id": "jvasp-110289",
"created_at": "2022-09-04T14:38:18.751789Z",
"updated_at": "2022-09-04T14:38:18.751808Z",
"structure_string": "Au1 O2 F6\n1.0\n4.104289 -0.284453 -1.035418\n-1.387292 5.564490 0.757696\n0.463560 0.735967 5.415890\nAu O F\n1 2 6\ndirect\n0.003716 0.008183 0.992674 Au\n0.331264 0.627936 0.639472 O\n0.676432 0.388541 0.345863 O\n0.416714 0.248615 0.872424 F\n0.211639 0.998562 0.335496 F\n0.985958 0.440092 0.269424 F\n0.590704 0.767737 0.112907 F\n0.795812 0.017824 0.649842 F\n0.021767 0.576512 0.715901 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 4.634090627129543,
"density_atomic": 0.07323518750494559,
"volume": 122.8917451654265,
"volume_molar": 8.223015418091643,
"formula_full": "Au1 O2 F6",
"formula_reduced": "Au(OF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.5357151405555558,
"spacegroup": 2
},
{
"id": "jvasp-61586",
"created_at": "2022-09-04T14:35:43.275248Z",
"updated_at": "2022-09-04T14:35:43.275274Z",
"structure_string": "Au1 O2 F6\n1.0\n5.061819 -0.217211 0.119832\n0.203072 5.162006 -0.158917\n1.280934 0.785156 4.538254\nAu O F\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Au\n0.441359 0.524566 0.617318 O\n0.558641 0.475436 0.382680 O\n0.314822 0.193452 0.033880 F\n0.685177 0.806550 0.966118 F\n0.102335 0.674824 0.189424 F\n0.897665 0.325178 0.810574 F\n0.225421 0.931205 0.620311 F\n0.774578 0.068797 0.379687 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Au",
"O",
"F"
],
"chemical_system": "Au-F-O",
"density": 4.7984084496560175,
"density_atomic": 0.07583199613718954,
"volume": 118.68341146813381,
"volume_molar": 7.9414245526455565,
"formula_full": "Au1 O2 F6",
"formula_reduced": "Au(OF3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.4958040294444447,
"spacegroup": 2
},
{
"id": "jvasp-98653",
"created_at": "2022-09-04T14:36:02.794348Z",
"updated_at": "2022-09-04T14:36:02.794363Z",
"structure_string": "Pd2 Au4 F16\n1.0\n5.103291 0.060537 0.000000\n0.058464 5.543463 0.000000\n0.000000 0.000000 11.022166\nPd Au F\n2 4 16\ndirect\n0.500000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.273054 0.013166 0.684784 Au\n0.773054 0.513166 0.815217 Au\n0.726944 0.986834 0.315217 Au\n0.226945 0.486834 0.184784 Au\n0.783477 0.195078 0.899209 F\n0.716522 0.304923 0.399209 F\n0.280342 0.319794 0.771256 F\n0.219657 0.180206 0.271256 F\n0.719657 0.680206 0.228744 F\n0.244605 0.176250 0.524755 F\n0.291522 0.851271 0.846236 F\n0.791523 0.351272 0.653765 F\n0.708477 0.148729 0.153764 F\n0.283477 0.695077 0.600791 F\n0.216522 0.804922 0.100791 F\n0.744604 0.676250 0.975246 F\n0.755394 0.823750 0.475245 F\n0.255395 0.323750 0.024755 F\n0.208476 0.648728 0.346236 F\n0.780342 0.819794 0.728744 F\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Pd",
"Au",
"F"
],
"chemical_system": "Au-F-Pd",
"density": 6.9487909546129805,
"density_atomic": 0.07056325125494806,
"volume": 311.7770171971393,
"volume_molar": 8.534386742245971,
"formula_full": "Pd2 Au4 F16",
"formula_reduced": "Pd(AuF4)2",
"formula_anonymous": "AB2C8",
"energy_above_hull": 0.0420821,
"spacegroup": 14
},
{
"id": "jvasp-107845",
"created_at": "2022-09-04T14:38:18.455844Z",
"updated_at": "2022-09-04T14:38:18.455866Z",
"structure_string": "Rb2 Pd1 Au1 F6\n1.0\n5.373507 -0.000000 3.102396\n1.791169 5.066191 3.102396\n-0.000000 -0.000000 6.204792\nRb Pd Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Au\n0.239031 0.239030 0.760970 F\n0.239031 0.760969 0.760970 F\n0.760970 0.760969 0.239031 F\n0.239031 0.760969 0.239031 F\n0.760970 0.239030 0.760970 F\n0.760970 0.239030 0.239031 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Pd",
"Au",
"F"
],
"chemical_system": "Au-F-Pd-Rb",
"density": 5.783498577929706,
"density_atomic": 0.059201593221303604,
"volume": 168.91437300713582,
"volume_molar": 10.172261306361165,
"formula_full": "Rb2 Pd1 Au1 F6",
"formula_reduced": "Rb2PdAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-103209",
"created_at": "2022-09-04T14:36:34.529615Z",
"updated_at": "2022-09-04T14:36:34.529647Z",
"structure_string": "Rb3 Au1 F6\n1.0\n5.768280 -0.000000 3.330318\n1.922760 5.438386 3.330318\n-0.000000 -0.000000 6.660636\nRb Au F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.750001 Rb\n0.500000 0.500000 0.500001 Rb\n0.000000 0.000000 0.000000 Au\n0.226100 0.226100 0.773900 F\n0.226100 0.773900 0.773900 F\n0.773900 0.773900 0.226101 F\n0.226100 0.773900 0.226100 F\n0.773900 0.226100 0.773901 F\n0.773900 0.226100 0.226101 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"Au",
"F"
],
"chemical_system": "Au-F-Rb",
"density": 4.508956500011848,
"density_atomic": 0.04785947573696331,
"volume": 208.94503849060553,
"volume_molar": 12.582964328940443,
"formula_full": "Rb3 Au1 F6",
"formula_reduced": "Rb3AuF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-100576",
"created_at": "2022-09-04T14:36:38.656621Z",
"updated_at": "2022-09-04T14:36:38.656640Z",
"structure_string": "Rb1 Au1 F3\n1.0\n4.460970 -0.000000 -0.000000\n-0.000000 4.460970 -0.000000\n-0.000000 -0.000000 4.460970\nRb Au F\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Au\n0.500000 0.000000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.000000 0.500000 0.000000 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Rb",
"Au",
"F"
],
"chemical_system": "Au-F-Rb",
"density": 6.349081099700491,
"density_atomic": 0.05632252240651542,
"volume": 88.77443314615465,
"volume_molar": 10.69224264590706,
"formula_full": "Rb1 Au1 F3",
"formula_reduced": "RbAuF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-9406",
"created_at": "2022-09-04T14:37:08.597104Z",
"updated_at": "2022-09-04T14:37:08.597125Z",
"structure_string": "Rb2 Au2 F8\n1.0\n5.630167 0.000000 -2.593793\n-1.194949 5.501897 -2.593793\n-0.002927 -0.003631 7.401050\nRb Au F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 Rb\n0.750000 0.750000 0.500001 Rb\n-0.000000 0.500000 0.000000 Au\n0.500000 -0.000000 0.000000 Au\n0.956053 0.456053 0.229843 F\n0.726211 0.226211 0.770159 F\n0.043947 0.543948 0.770158 F\n0.226210 0.043948 0.770158 F\n0.273789 0.773790 0.229842 F\n0.456053 0.273790 0.229842 F\n0.773790 0.956053 0.229843 F\n0.543947 0.726211 0.770159 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Au",
"F"
],
"chemical_system": "Au-F-Rb",
"density": 5.194632996837725,
"density_atomic": 0.052366689046778124,
"volume": 229.1533075402311,
"volume_molar": 11.499945613557008,
"formula_full": "Rb2 Au2 F8",
"formula_reduced": "RbAuF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-100074",
"created_at": "2022-09-04T14:36:34.543853Z",
"updated_at": "2022-09-04T14:36:34.543874Z",
"structure_string": "Rb2 Rh1 Au1 F6\n1.0\n5.379923 -0.000000 3.106100\n1.793308 5.072240 3.106100\n-0.000000 -0.000000 6.212200\nRb Rh Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Au\n0.230298 0.230298 0.769702 F\n0.230298 0.769702 0.769702 F\n0.769702 0.769702 0.230298 F\n0.230298 0.769702 0.230298 F\n0.769701 0.230298 0.769702 F\n0.769701 0.230298 0.230298 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Rh",
"Au",
"F"
],
"chemical_system": "Au-F-Rb-Rh",
"density": 5.72840556385125,
"density_atomic": 0.0589900434763441,
"volume": 169.52013273240172,
"volume_molar": 10.208741009684067,
"formula_full": "Rb2 Rh1 Au1 F6",
"formula_reduced": "Rb2RhAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}