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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=3389",
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"results": [
{
"id": "jvasp-993",
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"updated_at": "2022-09-04T14:37:50.311850Z",
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{
"id": "jvasp-103217",
"created_at": "2022-09-04T14:38:40.565146Z",
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"structure_string": "Sb2\n1.0\n4.411121 0.000000 0.000000\n0.000000 3.117958 0.013704\n0.000000 -0.019965 4.411976\nSb\n2\ndirect\n0.750000 0.000158 0.749967 Sb\n0.250000 0.999841 0.250033 Sb\n",
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"spacegroup": 221
},
{
"id": "jvasp-14821",
"created_at": "2022-09-04T14:36:15.565741Z",
"updated_at": "2022-09-04T14:36:15.565773Z",
"structure_string": "Sb2\n1.0\n1.695871 -2.937334 -0.000000\n1.695871 2.937334 -0.000000\n0.000000 -0.000000 5.615475\nSb\n2\ndirect\n0.333333 0.666667 0.250000 Sb\n0.666667 0.333333 0.749999 Sb\n",
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"spacegroup": 194
},
{
"id": "jvasp-25208",
"created_at": "2022-09-04T14:38:30.964608Z",
"updated_at": "2022-09-04T14:38:30.964623Z",
"structure_string": "Sb4\n1.0\n3.881770 -0.000000 1.332429\n1.940885 5.778871 0.666215\n0.064720 -0.000000 6.132049\nSb\n4\ndirect\n0.652164 0.195673 0.500000 Sb\n0.152165 0.500000 0.195673 Sb\n0.347837 0.804327 0.500001 Sb\n0.847836 0.500000 0.804328 Sb\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.029184872791433777,
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"volume_molar": 20.63445951276373,
"formula_full": "Sb4",
"formula_reduced": "Sb",
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"energy_above_hull": 0.30864,
"spacegroup": 140
},
{
"id": "jvasp-25123",
"created_at": "2022-09-04T14:37:52.176543Z",
"updated_at": "2022-09-04T14:37:52.176571Z",
"structure_string": "Sb1\n1.0\n2.817519 -0.000000 -1.461724\n-0.758340 2.713546 -1.461724\n0.084409 0.111233 3.608992\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Sb"
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"chemical_system": "Sb",
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"density_atomic": 0.03507708401696975,
"volume": 28.508641126389396,
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"formula_full": "Sb1",
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"spacegroup": 139
},
{
"id": "jvasp-25073",
"created_at": "2022-09-04T14:37:51.827591Z",
"updated_at": "2022-09-04T14:37:51.827607Z",
"structure_string": "Sb1\n1.0\n2.952281 0.000000 1.704500\n0.984094 2.783437 1.704500\n-0.000000 -0.000000 3.409000\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
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"elements": [
"Sb"
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"volume": 28.013417170837975,
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"formula_full": "Sb1",
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"energy_above_hull": 0.34809,
"spacegroup": 225
},
{
"id": "jvasp-16278",
"created_at": "2022-09-04T14:37:54.548666Z",
"updated_at": "2022-09-04T14:37:54.548702Z",
"structure_string": "Sb1\n1.0\n2.817519 -0.000000 -1.461724\n-0.758340 2.713546 -1.461724\n0.084409 0.111233 3.608992\nSb\n1\ndirect\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 1,
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"elements": [
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"spacegroup": 139
},
{
"id": "jvasp-25287",
"created_at": "2022-09-04T14:37:53.959067Z",
"updated_at": "2022-09-04T14:37:53.959088Z",
"structure_string": "Sb2\n1.0\n5.691054 1.959316 7.167172\n-4.146607 3.307439 1.029018\n-2.523228 -2.289806 -2.802117\nSb\n2\ndirect\n0.238825 0.770572 0.741498 Sb\n0.738671 0.270575 0.241181 Sb\n",
"nsites": 2,
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"elements": [
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"density": 6.664314969855766,
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"formula_full": "Sb2",
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"energy_above_hull": 0.04855,
"spacegroup": 221
},
{
"id": "jvasp-100305",
"created_at": "2022-09-04T14:36:40.995963Z",
"updated_at": "2022-09-04T14:36:40.995984Z",
"structure_string": "Sb4 As2 S4\n1.0\n5.366925 -0.018170 2.267781\n3.884997 3.702838 2.267781\n0.029750 0.011848 12.600490\nSb As S\n4 2 4\ndirect\n0.277695 0.277696 0.671102 Sb\n0.722304 0.722305 0.328897 Sb\n0.910828 0.910830 0.897837 Sb\n0.089171 0.089171 0.102163 Sb\n0.117750 0.117750 0.489430 As\n0.882249 0.882251 0.510570 As\n0.673740 0.673742 0.923995 S\n0.326259 0.326259 0.076005 S\n0.530738 0.530739 0.265007 S\n0.469261 0.469262 0.734993 S\n",
"nsites": 10,
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"elements": [
"Sb",
"As",
"S"
],
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"density": 5.061825661628311,
"density_atomic": 0.03983963609353138,
"volume": 251.00630880570878,
"volume_molar": 15.115953232760058,
"formula_full": "Sb4 As2 S4",
"formula_reduced": "Sb2AsS2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.94213679,
"spacegroup": 12
},
{
"id": "jvasp-20331",
"created_at": "2022-09-04T14:38:34.322117Z",
"updated_at": "2022-09-04T14:38:34.322131Z",
"structure_string": "Sb8 Au4\n1.0\n6.790863 0.000000 -0.000000\n0.000000 6.790863 0.000000\n0.000000 -0.000000 6.790863\nSb Au\n8 4\ndirect\n0.375942 0.124058 0.875942 Sb\n0.124058 0.875942 0.375942 Sb\n0.875942 0.375942 0.124058 Sb\n0.624058 0.624058 0.624058 Sb\n0.375942 0.375942 0.375942 Sb\n0.124058 0.624058 0.875942 Sb\n0.875942 0.124058 0.624058 Sb\n0.624058 0.875942 0.124058 Sb\n0.000000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 12,
"nelements": 2,
"elements": [
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"Au"
],
"chemical_system": "Au-Sb",
"density": 9.342580582805404,
"density_atomic": 0.03831830932675273,
"volume": 313.16621768648724,
"volume_molar": 15.716092034873563,
"formula_full": "Sb8 Au4",
"formula_reduced": "Sb2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0603732566666673,
"spacegroup": 205
},
{
"id": "jvasp-29264",
"created_at": "2022-09-04T14:38:39.401103Z",
"updated_at": "2022-09-04T14:38:39.401118Z",
"structure_string": "Sb4 Au6 F36\n1.0\n8.460529 0.000000 0.000000\n0.000000 8.259093 -3.862505\n0.000000 -0.009317 9.696196\nSb Au F\n4 6 36\ndirect\n0.124647 0.139978 0.276439 Sb\n0.624647 0.360022 0.223561 Sb\n0.875353 0.860021 0.723560 Sb\n0.375353 0.639978 0.776439 Sb\n0.668458 0.797810 0.130567 Au\n0.168458 0.702189 0.369432 Au\n0.000000 0.500000 -0.000000 Au\n0.831542 0.297810 0.630568 Au\n0.331542 0.202189 0.869433 Au\n0.500000 -0.000000 0.500000 Au\n0.472288 0.335095 0.046964 F\n0.972288 0.164904 0.453036 F\n0.229136 0.605642 0.617243 F\n0.729136 0.894357 0.882757 F\n0.770864 0.394357 0.382757 F\n0.368873 0.417873 0.744738 F\n0.868873 0.082126 0.755262 F\n0.631127 0.582126 0.255262 F\n0.027712 0.835095 0.546964 F\n0.216414 0.681762 0.928992 F\n0.716414 0.818237 0.571007 F\n0.270864 0.105642 0.117243 F\n0.131127 0.917873 0.244738 F\n0.941293 0.094547 0.153101 F\n0.283586 0.181762 0.428992 F\n0.441293 0.405452 0.346899 F\n0.058707 0.905452 0.846898 F\n0.558707 0.594547 0.653101 F\n0.101019 0.365637 0.333784 F\n0.601019 0.134363 0.166216 F\n0.791510 0.908984 0.310653 F\n0.291510 0.591015 0.189346 F\n0.208490 0.091015 0.689346 F\n0.708490 0.408984 0.810654 F\n0.478863 0.895958 0.256586 F\n0.978863 0.604041 0.243414 F\n0.521137 0.104041 0.743414 F\n0.021137 0.395958 0.756586 F\n0.863022 0.701937 0.010142 F\n0.363022 0.798063 0.489857 F\n0.136978 0.298063 0.989857 F\n0.636978 0.201937 0.510143 F\n0.898981 0.634362 0.666216 F\n0.398981 0.865636 0.833783 F\n0.783586 0.318237 0.071008 F\n0.527712 0.664904 0.953036 F\n",
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"elements": [
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"F"
],
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"density": 5.768922687111117,
"density_atomic": 0.06792376912046948,
"volume": 677.2297915095743,
"volume_molar": 8.866028546382847,
"formula_full": "Sb4 Au6 F36",
"formula_reduced": "Sb2(AuF6)3",
"formula_anonymous": "A2B3C18",
"energy_above_hull": 0.0289778258695652,
"spacegroup": 14
},
{
"id": "jvasp-117347",
"created_at": "2022-09-04T14:38:26.483302Z",
"updated_at": "2022-09-04T14:38:26.483321Z",
"structure_string": "Sb4 Cl14 F6\n1.0\n7.476133 0.035048 6.368280\n3.616891 6.543080 6.368280\n0.048542 0.028785 12.698373\nSb Cl F\n4 14 6\ndirect\n0.243785 0.212183 0.821663 Sb\n0.787817 0.756215 0.178337 Sb\n0.011065 0.890586 0.276460 Sb\n0.109414 -0.011065 0.723540 Sb\n0.099341 0.450329 0.189279 Cl\n0.549670 0.900659 0.810721 Cl\n0.289891 0.135124 0.479326 Cl\n0.864876 0.710109 0.520674 Cl\n0.600743 0.650011 0.431863 Cl\n0.349989 0.399257 0.568137 Cl\n0.701269 0.697760 0.083765 Cl\n0.310649 0.605881 0.208363 Cl\n0.394118 0.689351 0.791637 Cl\n0.787255 0.282265 0.738899 Cl\n0.717735 0.212745 0.261101 Cl\n0.041077 0.839201 0.688024 Cl\n0.160799 -0.041077 0.311975 Cl\n0.302239 0.298731 0.916235 Cl\n0.119083 0.042452 0.038132 F\n0.144257 0.116838 0.787929 F\n0.883162 0.855743 0.212071 F\n-0.037603 0.423195 0.855231 F\n0.576805 0.037602 0.144768 F\n0.957547 0.880918 0.961868 F\n",
"nsites": 24,
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"elements": [
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],
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"density": 2.9541534481485576,
"density_atomic": 0.0389082012697363,
"volume": 616.8365336042341,
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"formula_full": "Sb4 Cl14 F6",
"formula_reduced": "Sb2Cl7F3",
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}
]
}