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{
"id": "jvasp-107819",
"created_at": "2022-09-04T14:38:17.881453Z",
"updated_at": "2022-09-04T14:38:17.881478Z",
"structure_string": "K2 Ag1 Sb1 Cl6\n1.0\n6.478854 -0.000000 3.740568\n2.159618 6.108322 3.740568\n-0.000000 -0.000000 7.481136\nK Ag Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 Ag\n0.000000 0.000000 0.000000 Sb\n0.750098 0.249901 0.249902 Cl\n0.249902 0.249901 0.750099 Cl\n0.249902 0.750098 0.750099 Cl\n0.249902 0.750098 0.249902 Cl\n0.750098 0.249901 0.750099 Cl\n0.750098 0.750098 0.249902 Cl\n",
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{
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"created_at": "2022-09-04T14:37:03.674296Z",
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"structure_string": "K2 Ag1 Sb1 F6\n1.0\n5.577775 -0.000000 3.220330\n1.859258 5.258777 3.220330\n-0.000000 -0.000000 6.440660\nK Ag Sb F\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ag\n0.500000 0.500000 0.500000 Sb\n0.739425 0.739424 0.260575 F\n0.739425 0.260576 0.260576 F\n0.260576 0.260576 0.739424 F\n0.739425 0.260576 0.739424 F\n0.260576 0.739424 0.260576 F\n0.260576 0.739424 0.739424 F\n",
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"spacegroup": 225
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{
"id": "jvasp-101378",
"created_at": "2022-09-04T14:36:42.491687Z",
"updated_at": "2022-09-04T14:36:42.491728Z",
"structure_string": "K2 Ag1 Sb1 I6\n1.0\n7.288526 -0.000000 4.208032\n2.429509 6.871688 4.208032\n0.000000 0.000000 8.416065\nK Ag Sb I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.747203 0.252798 0.252797 I\n0.252798 0.252798 0.747202 I\n0.252798 0.747202 0.747202 I\n0.252798 0.747202 0.252797 I\n0.747203 0.252798 0.747202 I\n0.747203 0.747202 0.252797 I\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.023723992546860116,
"volume": 421.5142109932717,
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"formula_full": "K2 Ag1 Sb1 I6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-120530",
"created_at": "2022-09-04T14:38:52.559506Z",
"updated_at": "2022-09-04T14:38:52.559530Z",
"structure_string": "K4 Ag6 Sb6 S14\n1.0\n13.237749 0.061329 0.000000\n-10.137585 8.512997 0.000000\n-0.000000 -0.000000 6.810045\nK Ag Sb S\n4 6 6 14\ndirect\n0.485759 0.899512 0.686601 K\n0.899511 0.485759 0.686601 K\n0.514241 0.100489 0.186602 K\n0.100489 0.514242 0.186602 K\n0.682068 0.682068 0.366343 Ag\n0.317932 0.317932 0.866342 Ag\n0.403384 0.585998 0.629420 Ag\n0.585998 0.403384 0.629420 Ag\n0.596616 0.414002 0.129420 Ag\n0.414002 0.596616 0.129420 Ag\n0.152652 0.152652 0.330905 Sb\n0.761034 0.017485 0.188371 Sb\n0.847348 0.847348 0.830904 Sb\n0.238966 0.982515 0.688371 Sb\n0.982515 0.238966 0.688371 Sb\n0.017485 0.761035 0.188371 Sb\n0.696105 0.846947 0.613984 S\n0.846946 0.696106 0.613984 S\n0.477537 0.823536 0.195821 S\n0.823536 0.477538 0.195821 S\n0.522463 0.176464 0.695821 S\n0.176464 0.522463 0.695821 S\n0.801832 0.183643 0.928816 S\n0.198169 0.816358 0.428817 S\n0.816358 0.198169 0.428817 S\n0.385031 0.385031 0.518231 S\n0.614969 0.614969 0.018231 S\n0.153054 0.303895 0.113984 S\n0.183642 0.801832 0.928816 S\n0.303895 0.153054 0.113984 S\n",
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"volume": 771.677834838471,
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"formula_full": "K4 Ag6 Sb6 S14",
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{
"id": "jvasp-119179",
"created_at": "2022-09-04T14:38:50.170111Z",
"updated_at": "2022-09-04T14:38:50.170136Z",
"structure_string": "K3 Ag9 Sb4 S12\n1.0\n8.980499 0.040403 -3.534032\n-4.153214 7.962525 -3.534032\n-0.024370 -0.040403 9.650810\nK Ag Sb S\n3 9 4 12\ndirect\n0.000000 0.000000 0.000000 K\n0.669426 0.669425 0.000000 K\n0.330574 0.330574 0.000000 K\n0.359823 0.504898 0.521704 Ag\n0.983195 0.838119 0.478296 Ag\n0.516605 0.004033 0.173765 Ag\n0.830268 0.342840 0.826235 Ag\n0.657160 0.483394 0.487428 Ag\n0.995967 0.169732 0.512572 Ag\n0.495102 0.016805 0.854925 Ag\n0.161881 0.640176 0.145075 Ag\n0.250000 0.750000 0.500000 Ag\n0.108411 0.601123 0.734565 Sb\n0.866559 0.373845 0.265435 Sb\n0.398877 0.133442 0.507288 Sb\n0.626155 0.891589 0.492712 Sb\n0.581504 0.808178 0.695717 S\n0.112462 0.885786 0.304283 S\n0.799917 0.082746 0.203696 S\n0.879050 0.596220 0.796304 S\n0.403779 0.200083 0.282829 S\n0.917254 0.120950 0.717171 S\n0.191822 0.887538 0.773326 S\n0.114213 0.418496 0.226675 S\n0.340996 0.682476 0.017170 S\n0.665308 0.323826 0.982830 S\n0.676174 0.659004 0.341481 S\n0.317524 0.334692 0.658519 S\n",
"nsites": 28,
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"density_atomic": 0.0406287809346205,
"volume": 689.1666290715779,
"volume_molar": 14.82235159772768,
"formula_full": "K3 Ag9 Sb4 S12",
"formula_reduced": "K3Ag9(SbS3)4",
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},
{
"id": "jvasp-8205",
"created_at": "2022-09-04T14:38:10.838019Z",
"updated_at": "2022-09-04T14:38:10.838042Z",
"structure_string": "K1 Ag2 Sb1 S4\n1.0\n5.842425 -0.011725 -2.781833\n-3.509989 5.359997 -0.907228\n-0.007678 0.011725 6.470893\nK Ag Sb S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.499999 0.250000 0.750000 Ag\n0.499999 0.750000 0.250000 Ag\n0.000000 0.500001 0.500000 Sb\n0.000000 0.458896 0.860877 S\n0.598017 0.139123 0.139123 S\n0.401982 0.541106 0.541105 S\n0.000000 0.860878 0.458895 S\n",
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"density_atomic": 0.03951900698031943,
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"formula_full": "K1 Ag2 Sb1 S4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 121
},
{
"id": "jvasp-54805",
"created_at": "2022-09-04T14:37:44.444719Z",
"updated_at": "2022-09-04T14:37:44.444734Z",
"structure_string": "K4 Ag4 Sn2 Se8\n1.0\n0.000000 7.601103 0.002158\n5.874617 0.000000 0.000000\n0.000000 -4.985982 -11.304804\nK Ag Sn Se\n4 4 2 8\ndirect\n0.000000 0.523754 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.476246 0.250000 K\n0.000000 0.000000 0.500000 K\n0.499217 0.750637 0.967728 Ag\n0.499217 0.249363 0.467728 Ag\n0.500783 0.249363 0.032271 Ag\n0.500783 0.750637 0.532271 Ag\n0.500000 0.749526 0.250000 Sn\n0.500000 0.250475 0.750000 Sn\n0.740394 0.028565 0.690981 Se\n0.260268 0.524224 0.072577 Se\n0.739731 0.475777 0.927422 Se\n0.739731 0.524224 0.427423 Se\n0.259606 0.028565 0.809018 Se\n0.260268 0.475777 0.572577 Se\n0.740394 0.971436 0.190981 Se\n0.259606 0.971436 0.309019 Se\n",
"nsites": 18,
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"elements": [
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],
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"density_atomic": 0.03566216270826522,
"volume": 504.7366349385266,
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{
"id": "jvasp-122442",
"created_at": "2022-09-04T14:38:53.959359Z",
"updated_at": "2022-09-04T14:38:53.959386Z",
"structure_string": "K4 Ag4 Te4 S12\n1.0\n10.680776 0.000000 0.000000\n-0.000000 7.011611 2.045657\n-0.000000 0.008372 8.407767\nK Ag Te S\n4 4 4 12\ndirect\n0.247159 0.486637 0.879395 K\n0.752841 0.513363 0.120606 K\n0.747159 0.513363 0.620606 K\n0.252841 0.486637 0.379395 K\n0.253733 0.913952 0.518094 Ag\n0.746267 0.086048 0.481907 Ag\n0.753733 0.086048 0.981907 Ag\n0.246267 0.913952 0.018094 Ag\n0.010061 0.088775 0.726121 Te\n0.989939 0.911225 0.273880 Te\n0.510061 0.911225 0.773880 Te\n0.489939 0.088775 0.226121 Te\n0.952919 0.289251 0.900729 S\n0.049039 0.722077 0.546940 S\n0.950961 0.277922 0.453061 S\n0.549040 0.277922 0.953061 S\n0.450961 0.722078 0.046940 S\n0.734722 0.854442 0.787389 S\n0.265279 0.145557 0.212611 S\n0.234722 0.145557 0.712612 S\n0.765279 0.854442 0.287389 S\n0.452919 0.710748 0.599272 S\n0.547082 0.289251 0.400729 S\n0.047082 0.710749 0.099272 S\n",
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{
"id": "jvasp-106424",
"created_at": "2022-09-04T14:36:53.975263Z",
"updated_at": "2022-09-04T14:36:53.975283Z",
"structure_string": "K2 Al1 Ag1 Br6\n1.0\n6.509304 -0.000000 3.758149\n2.169768 6.137031 3.758149\n-0.000000 0.000000 7.516297\nK Al Ag Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Ag\n0.762930 0.237070 0.237070 Br\n0.237070 0.237070 0.762931 Br\n0.237070 0.762930 0.762931 Br\n0.237070 0.762930 0.237070 Br\n0.762930 0.237070 0.762931 Br\n0.762930 0.762930 0.237070 Br\n",
"nsites": 10,
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"volume": 300.2595325768924,
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},
{
"id": "jvasp-110672",
"created_at": "2022-09-04T14:38:38.108582Z",
"updated_at": "2022-09-04T14:38:38.108603Z",
"structure_string": "K2 Al1 Ag1 Cl6\n1.0\n6.131031 -0.000000 3.539752\n2.043677 5.780391 3.539752\n-0.000000 -0.000000 7.079504\nK Al Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 Ag\n0.766796 0.233204 0.233203 Cl\n0.233204 0.233204 0.766795 Cl\n0.233204 0.766796 0.766795 Cl\n0.233204 0.766796 0.233203 Cl\n0.766796 0.233204 0.766795 Cl\n0.766797 0.766796 0.233203 Cl\n",
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},
{
"id": "jvasp-99696",
"created_at": "2022-09-04T14:36:58.723678Z",
"updated_at": "2022-09-04T14:36:58.723713Z",
"structure_string": "K2 Al1 Au1 Br6\n1.0\n6.513643 0.000000 3.760653\n2.171214 6.141122 3.760653\n-0.000000 0.000000 7.521307\nK Al Au Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.762534 0.237465 0.237465 Br\n0.237465 0.237465 0.762535 Br\n0.237465 0.762535 0.762535 Br\n0.237465 0.762535 0.237465 Br\n0.762534 0.237465 0.762535 Br\n0.762534 0.762535 0.237465 Br\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.033238009448952194,
"volume": 300.8603753891539,
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"formula_full": "K2 Al1 Au1 Br6",
"formula_reduced": "K2AlAuBr6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-99705",
"created_at": "2022-09-04T14:36:16.610388Z",
"updated_at": "2022-09-04T14:36:16.610415Z",
"structure_string": "K2 Al1 Au1 Cl6\n1.0\n6.155231 -0.000000 3.553724\n2.051744 5.803208 3.553724\n0.000000 0.000000 7.107449\nK Al Au Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Au\n0.767129 0.232871 0.232870 Cl\n0.232870 0.232871 0.767129 Cl\n0.232870 0.767130 0.767129 Cl\n0.232870 0.767130 0.232870 Cl\n0.767129 0.232871 0.767129 Cl\n0.767129 0.767130 0.232870 Cl\n",
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],
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}
]
}