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{
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"results": [
{
"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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"formula_full": "Sb8 O16",
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"spacegroup": 52
},
{
"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",
"nsites": 24,
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],
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"density": 5.308025964992034,
"density_atomic": 0.062368487910864634,
"volume": 384.80971407067227,
"volume_molar": 9.65574276645392,
"formula_full": "Sb8 O16",
"formula_reduced": "SbO2",
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"energy_above_hull": 1.4694077000000003,
"spacegroup": 62
},
{
"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",
"nsites": 20,
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"elements": [
"Sb",
"O"
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"chemical_system": "O-Sb",
"density": 5.549447882283897,
"density_atomic": 0.05731984538005968,
"volume": 348.9192943105454,
"volume_molar": 10.506205521089859,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93835654,
"spacegroup": 227
},
{
"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",
"nsites": 20,
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"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 5.740773639370702,
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"volume": 337.290679015852,
"volume_molar": 10.156059730347193,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
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"spacegroup": 56
},
{
"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",
"nsites": 20,
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"density": 5.740741155658558,
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"volume": 337.2925875591967,
"volume_molar": 10.156117197930538,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.93636054,
"spacegroup": 56
},
{
"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",
"nsites": 20,
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"elements": [
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],
"chemical_system": "O-Sb",
"density": 5.617048889249001,
"density_atomic": 0.058018091286494135,
"volume": 344.7200615621725,
"volume_molar": 10.379763667616341,
"formula_full": "Sb8 O12",
"formula_reduced": "Sb2O3",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.97165654,
"spacegroup": 59
},
{
"id": "jvasp-30170",
"created_at": "2022-09-04T14:37:10.889140Z",
"updated_at": "2022-09-04T14:37:10.889152Z",
"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",
"nsites": 22,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 5.102649817214557,
"density_atomic": 0.055867560865539324,
"volume": 393.7884464465714,
"volume_molar": 10.779315700740794,
"formula_full": "Sb8 O10 F4",
"formula_reduced": "Sb4O5F2",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.8504820422727275,
"spacegroup": 14
},
{
"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",
"nsites": 12,
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"elements": [
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],
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"density": 10.499429996654177,
"density_atomic": 0.043532483145660154,
"volume": 275.65622571650397,
"volume_molar": 13.833671605292658,
"formula_full": "Sb8 Ir4",
"formula_reduced": "Sb2Ir",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2067677666666663,
"spacegroup": 14
},
{
"id": "jvasp-30347",
"created_at": "2022-09-04T14:37:08.427626Z",
"updated_at": "2022-09-04T14:37:08.427642Z",
"structure_string": "Sb8 I4 O10\n1.0\n5.221482 0.000000 0.000000\n0.000000 7.097452 -0.847746\n0.000000 -0.086095 13.697760\nSb I O\n8 4 10\ndirect\n0.625650 0.182005 0.297063 Sb\n0.125650 0.817995 0.202937 Sb\n0.374350 0.817995 0.702937 Sb\n0.874349 0.182006 0.797063 Sb\n0.721934 0.835467 0.447355 Sb\n0.221935 0.164533 0.052645 Sb\n0.278065 0.164533 0.552645 Sb\n0.778065 0.835468 0.947355 Sb\n0.788901 0.504632 0.620237 I\n0.288901 0.495369 0.879763 I\n0.711099 0.504631 0.120237 I\n0.211099 0.495369 0.379763 I\n0.500000 0.000000 0.000000 O\n0.505659 0.935626 0.582759 O\n0.005659 0.064375 0.917241 O\n0.494341 0.064375 0.417242 O\n0.994341 0.935625 0.082759 O\n0.838165 0.928755 0.290572 O\n0.338165 0.071245 0.209428 O\n0.161834 0.071246 0.709428 O\n0.661834 0.928755 0.790572 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 22,
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"elements": [
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"I",
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],
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"density": 5.374290178585094,
"density_atomic": 0.043371360461234035,
"volume": 507.247173389083,
"volume_molar": 13.885063083005381,
"formula_full": "Sb8 I4 O10",
"formula_reduced": "Sb4I2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.8547694954545453,
"spacegroup": 14
},
{
"id": "jvasp-55660",
"created_at": "2022-09-04T14:38:08.116300Z",
"updated_at": "2022-09-04T14:38:08.116330Z",
"structure_string": "Sb8 Cl4 O10\n1.0\n0.000000 6.265493 0.053829\n5.149485 0.000000 0.000000\n0.000000 -1.461658 -13.607540\nSb Cl O\n8 4 10\ndirect\n0.794213 0.620697 0.702417 Sb\n0.205786 0.120697 0.797583 Sb\n0.205786 0.379304 0.297583 Sb\n0.794213 0.879304 0.202417 Sb\n0.191059 0.721456 0.549341 Sb\n0.808940 0.221456 0.950659 Sb\n0.808941 0.278544 0.450659 Sb\n0.191059 0.778545 0.049341 Sb\n0.497895 0.791954 0.383109 Cl\n0.502104 0.291954 0.116891 Cl\n0.497895 0.708047 0.883109 Cl\n0.502104 0.208046 0.616891 Cl\n0.000000 0.500000 0.000000 O\n0.070891 0.506788 0.417634 O\n0.929108 0.006787 0.082365 O\n0.929108 0.493213 0.582365 O\n0.070891 0.993213 0.917634 O\n0.079554 0.833532 0.710358 O\n0.920445 0.333532 0.789642 O\n0.920445 0.166469 0.289642 O\n0.079554 0.666469 0.210358 O\n-0.000000 0.000000 0.500000 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
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"Cl",
"O"
],
"chemical_system": "Cl-O-Sb",
"density": 4.830179534242341,
"density_atomic": 0.05015624149408944,
"volume": 438.6293578754809,
"volume_molar": 12.006762429975275,
"formula_full": "Sb8 Cl4 O10",
"formula_reduced": "Sb4Cl2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.932375457727273,
"spacegroup": 14
},
{
"id": "jvasp-119487",
"created_at": "2022-09-04T14:38:49.884998Z",
"updated_at": "2022-09-04T14:38:49.885023Z",
"structure_string": "Sb8 Cl2 O11\n1.0\n4.176857 0.046495 0.230259\n1.610475 8.657238 1.272040\n0.008385 0.094337 11.227260\nSb Cl O\n8 2 11\ndirect\n0.670999 0.519502 0.858238 Sb\n0.329004 0.480498 0.141762 Sb\n0.300082 0.042391 0.683700 Sb\n0.699921 0.957609 0.316300 Sb\n0.870050 0.850326 0.939593 Sb\n0.129953 0.149674 0.060407 Sb\n0.233858 0.449077 0.640816 Sb\n0.766145 0.550923 0.359184 Sb\n0.907704 0.193256 0.511258 Cl\n0.092299 0.806744 0.488742 Cl\n0.500000 -0.000000 0.000000 O\n0.434596 0.248852 0.142987 O\n0.565407 0.751148 0.857013 O\n0.085841 0.003291 0.211560 O\n0.714627 0.490484 0.684622 O\n0.822268 0.455247 0.199941 O\n0.177735 0.544753 0.800059 O\n0.285376 0.509516 0.315378 O\n0.286868 0.240856 0.744728 O\n0.914161 -0.003291 0.788440 O\n0.713135 0.759144 0.255272 O\n",
"nsites": 21,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cl-O-Sb",
"density": 5.0104004309874695,
"density_atomic": 0.05189604919343994,
"volume": 404.655081193629,
"volume_molar": 11.604237419986964,
"formula_full": "Sb8 Cl2 O11",
"formula_reduced": "Sb8Cl2O11",
"formula_anonymous": "A2B8C11",
"energy_above_hull": 2.3266154969047617,
"spacegroup": 2
},
{
"id": "jvasp-29244",
"created_at": "2022-09-04T14:38:03.653625Z",
"updated_at": "2022-09-04T14:38:03.653645Z",
"structure_string": "Sb8 Br4 O10\n1.0\n5.181829 0.000000 0.000000\n0.000000 6.577290 -0.879948\n0.000000 0.095104 13.656607\nSb Br O\n8 4 10\ndirect\n0.778228 0.820878 0.948397 Sb\n0.278227 0.179121 0.551604 Sb\n0.221773 0.179122 0.051603 Sb\n0.721773 0.820878 0.448397 Sb\n0.876046 0.195568 0.797892 Sb\n0.376046 0.804431 0.702108 Sb\n0.123955 0.804432 0.202108 Sb\n0.623955 0.195568 0.297892 Sb\n0.791400 0.503281 0.617932 Br\n0.291400 0.496718 0.882068 Br\n0.208601 0.496718 0.382068 Br\n0.708601 0.503282 0.117932 Br\n0.162569 0.075036 0.709865 O\n0.337431 0.075036 0.209865 O\n0.837431 0.924964 0.290135 O\n0.993457 0.931997 0.082539 O\n0.493457 0.068003 0.417461 O\n0.006543 0.068003 0.917461 O\n0.506544 0.931996 0.582539 O\n0.500000 0.000000 0.000000 O\n0.000000 -0.000000 0.500000 O\n0.662569 0.924963 0.790135 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sb",
"Br",
"O"
],
"chemical_system": "Br-O-Sb",
"density": 5.181357830796882,
"density_atomic": 0.04722210762314819,
"volume": 465.8834835490409,
"volume_molar": 12.752799616779402,
"formula_full": "Sb8 Br4 O10",
"formula_reduced": "Sb4Br2O5",
"formula_anonymous": "A2B4C5",
"energy_above_hull": 1.898088191818182,
"spacegroup": 14
}
]
}