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{
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"results": [
{
"id": "jvasp-9083",
"created_at": "2022-09-04T14:37:16.521113Z",
"updated_at": "2022-09-04T14:37:16.521140Z",
"structure_string": "Sb8 Ir4\n1.0\n0.000000 6.709150 -0.007532\n6.651956 0.000000 0.000000\n0.000000 -2.863545 -6.173406\nSb Ir\n8 4\ndirect\n0.149165 0.134859 0.877330 Sb\n0.850834 0.634859 0.622671 Sb\n0.850835 0.865142 0.122670 Sb\n0.149165 0.365141 0.377329 Sb\n0.344376 0.637367 0.176999 Sb\n0.655624 0.137367 0.323001 Sb\n0.655624 0.362634 0.823002 Sb\n0.344376 0.862634 0.676999 Sb\n0.270948 0.499066 0.789307 Ir\n0.729051 0.999066 0.710694 Ir\n0.729051 0.500935 0.210694 Ir\n0.270948 0.000935 0.289306 Ir\n",
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],
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{
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"structure_string": "Sb8 O10 F4\n1.0\n5.693583 0.000000 0.101331\n0.000000 5.122719 0.000000\n-1.320871 0.000000 13.477829\nSb O F\n8 10 4\ndirect\n0.241608 0.905026 0.795790 Sb\n0.203952 0.277290 0.552443 Sb\n0.241608 0.594974 0.295790 Sb\n0.203952 0.222711 0.052443 Sb\n0.796047 0.777290 0.947557 Sb\n0.758391 0.405026 0.704210 Sb\n0.796047 0.722711 0.447557 Sb\n0.758391 0.094974 0.204210 Sb\n0.927997 0.986233 0.083905 O\n0.895737 0.817676 0.293879 O\n0.927997 0.513767 0.583905 O\n0.895737 0.682324 0.793879 O\n0.104263 0.317676 0.206121 O\n0.104263 0.182324 0.706121 O\n0.072003 0.486233 0.416095 O\n0.000000 0.000000 0.500000 O\n0.072003 0.013767 0.916095 O\n0.000000 0.500000 0.000000 O\n0.478970 0.303708 0.361982 F\n0.478971 0.196292 0.861982 F\n0.521029 0.696292 0.638018 F\n0.521029 0.803708 0.138018 F\n",
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},
{
"id": "jvasp-29490",
"created_at": "2022-09-04T14:38:18.807941Z",
"updated_at": "2022-09-04T14:38:18.807963Z",
"structure_string": "Sb8 O12\n1.0\n3.356036 -0.000000 0.000000\n0.000000 7.739900 0.000000\n0.000000 0.000000 13.271029\nSb O\n8 12\ndirect\n0.749948 0.331186 0.615833 Sb\n0.250053 0.668814 0.384167 Sb\n0.250053 0.168814 0.115833 Sb\n0.750054 0.331186 0.884167 Sb\n0.750054 0.831186 0.615833 Sb\n0.749948 0.831186 0.884167 Sb\n0.249948 0.168814 0.384167 Sb\n0.249948 0.668814 0.115833 Sb\n0.750001 0.209094 0.750000 O\n0.749963 0.310141 0.426830 O\n0.750039 0.810141 0.426830 O\n0.750001 0.709094 0.750000 O\n0.250000 0.790906 0.250000 O\n0.749963 0.810141 0.073170 O\n0.250000 0.290906 0.250000 O\n0.750039 0.310141 0.073170 O\n0.250038 0.689859 0.573170 O\n0.250038 0.189859 0.926831 O\n0.249963 0.689859 0.926831 O\n0.249963 0.189859 0.573170 O\n",
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"formula_full": "Sb8 O12",
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"formula_anonymous": "A2B3",
"energy_above_hull": 1.97165654,
"spacegroup": 59
},
{
"id": "jvasp-14096",
"created_at": "2022-09-04T14:37:03.655427Z",
"updated_at": "2022-09-04T14:37:03.655447Z",
"structure_string": "Sb8 O12\n1.0\n4.946369 0.000000 0.000000\n-0.000000 5.460806 0.000000\n0.000000 0.000000 12.487156\nSb O\n8 12\ndirect\n0.961639 0.177440 0.872767 Sb\n0.461639 0.322560 0.127234 Sb\n0.538361 0.177440 0.627234 Sb\n0.038361 0.322560 0.372766 Sb\n0.038361 0.822560 0.127234 Sb\n0.538361 0.677441 0.872767 Sb\n0.461639 0.822560 0.372766 Sb\n0.961639 0.677441 0.627234 Sb\n0.644561 0.348836 0.942133 O\n0.144561 0.151165 0.057868 O\n0.144561 0.651165 0.442132 O\n0.644561 0.848836 0.557868 O\n0.355439 0.651165 0.057868 O\n0.250000 0.489755 0.250000 O\n0.750000 0.510246 0.750000 O\n0.250000 0.989755 0.250000 O\n0.355439 0.151165 0.442132 O\n0.750000 0.010245 0.750000 O\n0.855439 0.848836 0.942133 O\n0.855439 0.348836 0.557868 O\n",
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},
{
"id": "jvasp-18991",
"created_at": "2022-09-04T14:36:35.827512Z",
"updated_at": "2022-09-04T14:36:35.827553Z",
"structure_string": "Sb8 O12\n1.0\n4.946477 -0.000000 0.000000\n-0.000000 5.460648 0.000000\n0.000000 0.000000 12.487174\nSb O\n8 12\ndirect\n0.961640 0.177439 0.872764 Sb\n0.461640 0.322561 0.127236 Sb\n0.538361 0.177439 0.627236 Sb\n0.038360 0.322561 0.372764 Sb\n0.038360 0.822561 0.127236 Sb\n0.538361 0.677439 0.872764 Sb\n0.461640 0.822561 0.372764 Sb\n0.961640 0.677439 0.627236 Sb\n0.644558 0.348824 0.942131 O\n0.144558 0.151177 0.057868 O\n0.144558 0.651177 0.442132 O\n0.644558 0.848824 0.557868 O\n0.355443 0.651177 0.057868 O\n0.250000 0.489782 0.250000 O\n0.750000 0.510218 0.750000 O\n0.250000 0.989783 0.250000 O\n0.355443 0.151177 0.442132 O\n0.750000 0.010218 0.750000 O\n0.855443 0.848824 0.942131 O\n0.855443 0.348824 0.557868 O\n",
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"spacegroup": 56
},
{
"id": "jvasp-18987",
"created_at": "2022-09-04T14:37:02.020010Z",
"updated_at": "2022-09-04T14:37:02.020036Z",
"structure_string": "Sb8 O12\n1.0\n6.843485 -0.000000 3.951088\n2.281162 6.452099 3.951088\n-0.000000 -0.000000 7.902175\nSb O\n8 12\ndirect\n0.274880 0.741707 0.741708 Sb\n0.258293 0.725119 0.258294 Sb\n0.258293 0.258293 0.725120 Sb\n0.741706 0.274881 0.741708 Sb\n0.741706 0.741707 0.274882 Sb\n0.741706 0.741707 0.741708 Sb\n0.725119 0.258293 0.258294 Sb\n0.258293 0.258293 0.258294 Sb\n0.185427 0.564573 0.564574 O\n0.564573 0.564573 0.185428 O\n0.814572 0.435427 0.435428 O\n0.185427 0.564573 0.185427 O\n0.564573 0.185427 0.564574 O\n0.814572 0.435427 0.814574 O\n0.814572 0.814573 0.435428 O\n0.435427 0.435427 0.814574 O\n0.435426 0.814573 0.435428 O\n0.564573 0.185427 0.185427 O\n0.435426 0.814573 0.814574 O\n0.185427 0.185427 0.564574 O\n",
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"spacegroup": 227
},
{
"id": "jvasp-30687",
"created_at": "2022-09-04T14:38:35.150879Z",
"updated_at": "2022-09-04T14:38:35.150902Z",
"structure_string": "Sb8 O16\n1.0\n3.212677 -0.000002 -0.000001\n-0.000003 11.245354 -0.006847\n-0.000002 -0.008491 10.651384\nSb O\n8 16\ndirect\n0.250000 0.385352 0.068910 Sb\n0.750001 0.114748 0.568654 Sb\n0.250001 0.885402 0.430685 Sb\n0.750002 0.614798 0.931751 Sb\n0.750000 0.522351 0.366146 Sb\n0.250001 0.477550 0.634648 Sb\n0.750001 0.022500 0.133897 Sb\n0.250002 0.977401 0.865306 Sb\n0.250000 0.123390 0.172580 O\n0.750001 0.876509 0.826617 O\n0.750001 0.930108 0.557296 O\n0.250001 0.070051 0.442021 O\n0.750001 0.430148 0.942471 O\n0.250001 0.570012 0.058210 O\n0.750000 0.421707 0.217303 O\n0.750001 0.581030 0.552215 O\n0.750001 0.921846 0.282431 O\n0.250001 0.078172 0.716853 O\n0.250001 0.623224 0.327701 O\n0.250000 0.418842 0.448561 O\n0.750001 0.080982 0.947955 O\n0.250000 0.918891 0.051269 O\n0.250000 0.578311 0.783413 O\n0.750000 0.376675 0.673102 O\n",
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},
{
"id": "jvasp-57569",
"created_at": "2022-09-04T14:37:20.150671Z",
"updated_at": "2022-09-04T14:37:20.150693Z",
"structure_string": "Sb8 O16\n1.0\n4.876550 -0.000000 0.000000\n0.000000 5.575465 0.000000\n0.000000 0.000000 11.897489\nSb O\n8 16\ndirect\n0.217597 0.250000 0.500000 Sb\n0.250000 0.618543 0.250000 Sb\n0.282403 0.250000 0.000000 Sb\n0.750000 0.381456 0.750000 Sb\n0.782403 0.749999 0.500000 Sb\n0.250000 0.881455 0.750000 Sb\n0.717597 0.749999 0.000000 Sb\n0.750000 0.118544 0.250000 Sb\n0.996987 0.637222 0.813003 O\n0.420800 0.920414 0.904766 O\n0.579200 0.420414 0.904766 O\n0.996987 0.862777 0.186997 O\n0.496987 0.362777 0.313003 O\n0.920800 0.420414 0.595234 O\n0.003013 0.362777 0.186997 O\n0.420800 0.579585 0.095234 O\n0.079200 0.579585 0.404766 O\n0.503013 0.862777 0.313003 O\n0.496987 0.137222 0.686997 O\n0.503013 0.637222 0.686997 O\n0.003013 0.137222 0.813003 O\n0.920800 0.079586 0.404766 O\n0.579200 0.079586 0.095234 O\n0.079200 0.920414 0.595234 O\n",
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},
{
"id": "jvasp-30793",
"created_at": "2022-09-04T14:38:39.877355Z",
"updated_at": "2022-09-04T14:38:39.877376Z",
"structure_string": "Sb8 O16\n1.0\n6.162902 -0.214624 2.232049\n-0.199614 5.921052 0.826085\n4.181084 1.670383 11.925923\nSb O\n8 16\ndirect\n0.621421 0.808686 0.396249 Sb\n0.378794 0.691326 0.103747 Sb\n0.379557 0.191483 0.603649 Sb\n0.620236 0.308495 0.896363 Sb\n0.000525 0.500080 0.499934 Sb\n-0.000523 -0.000082 0.000065 Sb\n0.000522 0.000074 0.499928 Sb\n-0.000514 0.499926 0.000070 Sb\n0.304308 0.005134 0.005952 O\n0.305541 0.505409 0.505663 O\n0.314141 0.502339 -0.001563 O\n0.315383 0.002589 0.498134 O\n0.694687 -0.005305 -0.005848 O\n0.695473 0.494757 0.494227 O\n0.825181 0.172088 0.141111 O\n0.173102 0.327793 0.856958 O\n0.173802 0.827756 0.859004 O\n-0.173623 0.672253 0.640993 O\n0.685642 -0.002423 0.501738 O\n-0.172801 0.172206 0.643039 O\n0.825883 0.672068 0.143166 O\n0.173804 0.827927 0.356841 O\n0.174612 0.327899 0.358888 O\n0.684844 0.497525 0.001687 O\n",
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},
{
"id": "jvasp-59746",
"created_at": "2022-09-04T14:38:31.031123Z",
"updated_at": "2022-09-04T14:38:31.031149Z",
"structure_string": "Sb8 O16\n1.0\n6.447878 -0.000000 3.722684\n2.149292 6.079117 3.722684\n-0.000000 -0.000000 7.445369\nSb O\n8 16\ndirect\n0.751194 0.751194 0.751193 Sb\n0.753582 0.248806 0.248805 Sb\n0.248806 0.753582 0.248805 Sb\n0.246418 0.751194 0.751194 Sb\n0.751194 0.246418 0.751193 Sb\n0.751194 0.751194 0.246417 Sb\n0.248806 0.248806 0.248806 Sb\n0.248806 0.248806 0.753582 Sb\n0.179632 0.179632 0.570368 O\n0.179631 0.570369 0.179631 O\n0.429631 0.820369 0.429631 O\n0.820368 0.429632 0.820368 O\n-0.000000 0.500000 -0.000000 O\n0.820368 0.820369 0.429631 O\n0.570368 0.179632 0.179631 O\n0.570368 0.570369 0.179631 O\n0.570368 0.179632 0.570368 O\n0.429631 0.820369 0.820368 O\n0.179631 0.570369 0.570368 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 -0.000000 O\n0.429632 0.429632 0.820368 O\n0.820368 0.429632 0.429631 O\n",
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},
{
"id": "jvasp-49175",
"created_at": "2022-09-04T14:37:17.944293Z",
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"structure_string": "Sb8 O16\n1.0\n6.478490 0.000000 3.740358\n2.159496 6.107979 3.740358\n0.000000 0.000000 7.480717\nSb O\n8 16\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 0.500000 Sb\n0.000000 0.000000 0.000000 Sb\n-0.000000 -0.000000 0.500000 Sb\n0.500000 -0.000000 0.000000 Sb\n0.000000 0.500000 -0.000000 Sb\n0.500000 0.500000 0.000000 Sb\n0.104306 0.104306 0.645694 O\n0.104307 0.645694 0.104306 O\n0.354307 0.895694 0.354307 O\n0.895694 0.354306 0.895694 O\n0.625000 0.625000 0.625000 O\n0.895694 0.895694 0.354307 O\n0.645694 0.104306 0.104307 O\n0.645694 0.645694 0.104307 O\n0.645694 0.104306 0.645694 O\n0.354307 0.895694 0.895694 O\n0.104307 0.645694 0.645694 O\n0.875000 0.875000 0.875001 O\n0.125000 0.125000 0.125000 O\n0.375000 0.375000 0.375000 O\n0.354307 0.354306 0.895694 O\n0.895694 0.354306 0.354307 O\n",
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},
{
"id": "jvasp-50847",
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"updated_at": "2022-09-04T14:37:06.310649Z",
"structure_string": "Sb8 O8 F8\n1.0\n9.807112 -0.000000 0.000000\n0.000000 9.807112 0.000000\n0.000000 0.000000 4.303747\nSb O F\n8 8 8\ndirect\n0.023876 0.757940 0.142989 Sb\n0.242060 0.023876 0.857012 Sb\n0.257940 0.523876 0.642989 Sb\n0.476124 0.257940 0.357012 Sb\n0.523876 0.742060 0.357012 Sb\n0.742060 0.476124 0.642989 Sb\n0.757940 0.976124 0.857012 Sb\n0.976124 0.242060 0.142989 Sb\n0.869305 0.882867 0.192388 O\n0.882867 0.130695 0.807613 O\n0.617132 0.630695 0.692388 O\n0.630695 0.382868 0.307613 O\n0.369305 0.617132 0.307613 O\n0.382868 0.369305 0.692388 O\n0.117132 0.869305 0.807613 O\n0.130695 0.117132 0.192388 O\n0.060941 0.333269 0.770932 F\n0.166731 0.439059 0.270932 F\n0.333269 0.939059 0.229068 F\n0.439059 0.833269 0.729069 F\n0.560941 0.166731 0.729069 F\n0.666730 0.060941 0.229068 F\n0.833269 0.560941 0.270932 F\n0.939059 0.666730 0.770932 F\n",
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"density_atomic": 0.05798053769247787,
"volume": 413.9320012396789,
"volume_molar": 10.386486568891003,
"formula_full": "Sb8 O8 F8",
"formula_reduced": "SbOF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5274432941666667,
"spacegroup": 114
}
]
}