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{
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{
"id": "jvasp-9912",
"created_at": "2022-09-04T14:38:29.940088Z",
"updated_at": "2022-09-04T14:38:29.940107Z",
"structure_string": "Sb4 O8\n1.0\n3.300585 0.000000 0.000000\n-1.650294 5.294688 0.000000\n-0.000000 0.000000 11.133255\nSb O\n4 8\ndirect\n0.866604 0.733205 0.077861 Sb\n0.133399 0.266795 0.922139 Sb\n0.866604 0.733205 0.422139 Sb\n0.133399 0.266795 0.577860 Sb\n0.243585 0.487168 0.407555 O\n0.756418 0.512833 0.592444 O\n0.756418 0.512833 0.907555 O\n0.243585 0.487168 0.092444 O\n0.914844 0.829684 0.250000 O\n0.085159 0.170317 0.750000 O\n0.500001 -0.000000 0.000000 O\n0.500001 -0.000000 0.500000 O\n",
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{
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"spacegroup": 15
},
{
"id": "jvasp-10034",
"created_at": "2022-09-04T14:37:10.529304Z",
"updated_at": "2022-09-04T14:37:10.529330Z",
"structure_string": "Sb4 O8\n1.0\n5.983604 -0.741250 0.599312\n2.349861 5.552577 0.599312\n3.267158 1.886295 5.335245\nSb O\n4 8\ndirect\n0.096564 0.096563 0.903437 Sb\n0.153436 0.153436 0.346564 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.347803 0.347803 0.389127 O\n0.442385 0.800030 0.378792 O\n0.347803 0.347802 0.915268 O\n0.800030 0.442385 0.378792 O\n0.449970 0.807614 0.871208 O\n0.807615 0.449969 0.871208 O\n0.902196 0.902197 0.334733 O\n0.902196 0.902196 0.860874 O\n",
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"elements": [
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],
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"volume": 170.12206466878794,
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"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.453751033333334,
"spacegroup": 74
},
{
"id": "jvasp-9458",
"created_at": "2022-09-04T14:38:04.755877Z",
"updated_at": "2022-09-04T14:38:04.755899Z",
"structure_string": "Sb4 O8\n1.0\n6.236335 -0.021858 -0.029306\n-3.096414 5.996071 -0.007080\n-3.096672 -1.755742 5.733210\nSb O\n4 8\ndirect\n0.500000 0.500000 -0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.500000 -0.000000 -0.000000 Sb\n0.557799 0.301822 0.813663 O\n0.057795 0.313662 0.801820 O\n0.015750 0.705793 0.794273 O\n0.942206 0.686338 0.198179 O\n0.484252 0.705726 0.794208 O\n0.515749 0.294273 0.205791 O\n0.984251 0.294207 0.205727 O\n0.442202 0.698177 0.186336 O\n",
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"elements": [
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],
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"density": 4.789946370133531,
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"volume": 213.21532602163003,
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"formula_full": "Sb4 O8",
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"spacegroup": 74
},
{
"id": "jvasp-9642",
"created_at": "2022-09-04T14:37:20.087756Z",
"updated_at": "2022-09-04T14:37:20.087786Z",
"structure_string": "Sb4 O8\n1.0\n6.236846 -0.001082 0.000606\n3.119354 5.983345 -0.108060\n3.118154 1.889964 5.678671\nSb O\n4 8\ndirect\n0.499999 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n-0.000000 0.500000 -0.000000 Sb\n0.690051 0.294221 0.794237 O\n0.255916 0.301819 0.186345 O\n0.309948 0.705779 0.205763 O\n0.778515 0.705780 0.205759 O\n0.744082 0.698181 0.813655 O\n0.744067 0.313666 0.198199 O\n0.255932 0.686334 0.801801 O\n0.221484 0.294221 0.794241 O\n",
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"elements": [
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"volume": 213.19765440375735,
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"formula_full": "Sb4 O8",
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"spacegroup": 74
},
{
"id": "jvasp-30794",
"created_at": "2022-09-04T14:38:39.081312Z",
"updated_at": "2022-09-04T14:38:39.081329Z",
"structure_string": "Sb4 O8\n1.0\n7.119675 -0.357488 -0.252781\n3.250245 5.629589 0.000000\n3.250246 1.876529 5.307628\nSb O\n4 8\ndirect\n0.291447 0.236185 0.236185 Sb\n0.633398 0.108555 0.629024 Sb\n0.633398 0.629024 0.108555 Sb\n0.633398 0.629024 0.629024 Sb\n0.446569 0.351142 0.351142 O\n0.446569 0.351142 0.851147 O\n0.446570 0.851147 0.351142 O\n0.778885 0.407038 0.407039 O\n0.437146 0.854284 0.854285 O\n0.794993 0.433817 0.885596 O\n0.794994 0.885595 0.433818 O\n0.794994 0.885595 0.885596 O\n",
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"volume": 221.98478456638728,
"volume_molar": 11.140196826975497,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
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"spacegroup": 160
},
{
"id": "jvasp-10636",
"created_at": "2022-09-04T14:37:28.371484Z",
"updated_at": "2022-09-04T14:37:28.371500Z",
"structure_string": "Sb4 O8\n1.0\n7.120145 -0.357803 -0.253004\n3.250207 5.629524 0.000000\n3.250208 1.876508 5.307566\nSb O\n4 8\ndirect\n0.291450 0.236184 0.236184 Sb\n0.633398 0.108557 0.629023 Sb\n0.633399 0.629022 0.108556 Sb\n0.633399 0.629022 0.629023 Sb\n0.446580 0.351134 0.351135 O\n0.446580 0.351134 0.851151 O\n0.446580 0.851150 0.351135 O\n0.778863 0.407046 0.407046 O\n0.437166 0.854277 0.854278 O\n0.794979 0.433824 0.885600 O\n0.794980 0.885599 0.433824 O\n0.794980 0.885599 0.885600 O\n",
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"spacegroup": 160
},
{
"id": "jvasp-2193",
"created_at": "2022-09-04T14:36:10.903324Z",
"updated_at": "2022-09-04T14:36:10.903343Z",
"structure_string": "Sb4 Os2\n1.0\n3.273357 0.000000 0.000000\n0.000000 6.019872 0.000000\n0.000000 0.000000 6.782937\nSb Os\n4 2\ndirect\n0.500000 0.318155 0.858130 Sb\n0.500000 0.681845 0.141871 Sb\n0.000000 0.181845 0.358130 Sb\n0.000000 0.818155 0.641871 Sb\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Os\n",
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},
{
"id": "jvasp-30325",
"created_at": "2022-09-04T14:38:02.112093Z",
"updated_at": "2022-09-04T14:38:02.112103Z",
"structure_string": "Sb4 P4 O16\n1.0\n6.804726 0.000000 0.000000\n0.000000 9.415235 0.000000\n-0.000000 0.000000 5.074818\nSb P O\n4 4 16\ndirect\n0.250000 0.338574 0.679331 Sb\n0.250000 0.838573 0.820669 Sb\n0.750000 0.161426 0.179331 Sb\n0.750000 0.661426 0.320669 Sb\n0.250000 0.108487 0.203725 P\n0.250000 0.608487 0.296275 P\n0.750000 0.391513 0.703725 P\n0.750000 0.891513 0.796276 P\n0.750000 0.856874 0.494084 O\n0.750000 0.356874 0.005916 O\n0.750000 0.056149 0.810456 O\n0.750000 0.556148 0.689545 O\n0.568487 0.328175 0.564973 O\n0.568487 0.828175 0.935028 O\n0.431514 0.671824 0.435027 O\n0.250000 0.443851 0.310456 O\n0.250000 0.643126 -0.005916 O\n0.250000 0.943851 0.189544 O\n0.931514 0.328175 0.564973 O\n0.250000 0.143126 0.505916 O\n0.068487 0.671824 0.435027 O\n0.068487 0.171824 0.064973 O\n0.431514 0.171824 0.064973 O\n0.931514 0.828175 0.935028 O\n",
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],
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"formula_full": "Sb4 P4 O16",
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"spacegroup": 62
},
{
"id": "jvasp-27720",
"created_at": "2022-09-04T14:38:09.008107Z",
"updated_at": "2022-09-04T14:38:09.008120Z",
"structure_string": "Sb4 P4 O20\n1.0\n6.763458 -0.017986 -1.487377\n-3.595593 5.728559 -1.487377\n0.085467 0.154069 9.042150\nSb P O\n4 4 20\ndirect\n0.869700 0.619628 0.250030 Sb\n0.369599 0.619668 0.749970 Sb\n0.869668 0.119597 0.249969 Sb\n0.869629 0.619699 0.750030 Sb\n0.031347 0.031354 0.573411 P\n0.707935 0.207942 0.926588 P\n0.457943 0.457935 0.426588 P\n0.281355 0.781346 0.073411 P\n0.489929 0.969540 0.818613 O\n0.921315 0.900926 0.681386 O\n0.134132 0.846583 0.962822 O\n0.642753 0.355134 0.037251 O\n0.883760 0.171306 0.037178 O\n0.855502 0.067882 0.462748 O\n0.249307 0.269813 0.681344 O\n0.096584 0.884131 0.462822 O\n0.150927 0.671314 0.181386 O\n0.421308 0.633760 0.537178 O\n0.820078 0.819985 0.150761 O\n0.069986 0.570077 0.650762 O\n0.519813 0.999306 0.181344 O\n0.219540 0.239928 0.318614 O\n0.817963 0.338467 0.818655 O\n0.317883 0.605501 0.962748 O\n0.669225 0.669315 0.849238 O\n0.588468 0.567962 0.318655 O\n0.919316 0.419224 0.349238 O\n0.605135 0.392753 0.537251 O\n",
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},
{
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"formula_full": "Sb4 P4 O20",
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},
{
"id": "jvasp-51383",
"created_at": "2022-09-04T14:37:00.144130Z",
"updated_at": "2022-09-04T14:37:00.144161Z",
"structure_string": "Sb4 Pb4 O14\n1.0\n-5.283538 3.966098 3.790166\n5.283538 -3.966098 3.790166\n5.283538 3.966098 -3.790166\nSb Pb O\n4 4 14\ndirect\n0.240600 0.738804 0.001796 Sb\n0.737007 0.238803 0.998204 Sb\n0.240910 0.740910 0.500000 Sb\n0.240910 0.240910 0.000000 Sb\n0.219632 0.251741 0.467890 Pb\n0.783852 0.751742 0.532110 Pb\n0.731293 0.231293 0.500000 Pb\n0.731293 0.731293 0.000000 Pb\n0.368196 0.558839 0.042868 O\n0.515970 0.325328 0.957133 O\n0.368196 0.825329 0.309358 O\n0.515970 0.058838 0.690642 O\n0.019990 0.146291 0.694002 O\n0.452290 0.325990 0.305999 O\n0.108689 0.918275 0.948912 O\n0.452290 0.646292 0.626302 O\n0.969365 0.159778 0.051088 O\n0.895652 0.489453 0.906197 O\n0.969365 0.418275 0.309587 O\n0.108689 0.659778 0.690414 O\n0.019990 0.825990 0.373699 O\n0.583257 0.989454 0.093803 O\n",
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],
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"volume": 317.6921612796003,
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"formula_full": "Sb4 Pb4 O14",
"formula_reduced": "Sb2Pb2O7",
"formula_anonymous": "A2B2C7",
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"spacegroup": 46
}
]
}