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{
"id": "jvasp-103195",
"created_at": "2022-09-04T14:38:39.613463Z",
"updated_at": "2022-09-04T14:38:39.613496Z",
"structure_string": "Rb2 Pr1 Ag1 Cl6\n1.0\n6.633771 0.000000 3.830010\n2.211257 6.254379 3.830010\n0.000000 -0.000000 7.660019\nRb Pr Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Ag\n0.751936 0.248064 0.248064 Cl\n0.248064 0.248064 0.751936 Cl\n0.248065 0.751936 0.751936 Cl\n0.248065 0.751936 0.248064 Cl\n0.751936 0.248064 0.751936 Cl\n0.751936 0.751936 0.248064 Cl\n",
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{
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"structure_string": "Na3 Tl1 I6\n1.0\n7.370742 0.000000 4.255500\n2.456914 6.949203 4.255500\n0.000000 0.000000 8.511000\nNa Tl I\n3 1 6\ndirect\n0.749999 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tl\n0.751937 0.248062 0.248063 I\n0.248062 0.248062 0.751938 I\n0.248062 0.751937 0.751938 I\n0.248062 0.751937 0.248063 I\n0.751937 0.248062 0.751938 I\n0.751937 0.751937 0.248063 I\n",
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{
"id": "jvasp-10319",
"created_at": "2022-09-04T14:37:15.175797Z",
"updated_at": "2022-09-04T14:37:15.175828Z",
"structure_string": "Ge4 Sb2 O12\n1.0\n5.533998 0.054234 1.299882\n1.552784 6.712909 0.643619\n0.146314 -0.138038 6.917230\nGe Sb O\n4 2 12\ndirect\n0.731354 0.389219 0.222614 Ge\n0.768646 0.777386 0.610781 Ge\n0.268645 0.610781 0.777386 Ge\n0.231354 0.222614 0.389219 Ge\n0.750000 0.886602 0.113398 Sb\n0.250000 0.113397 0.886602 Sb\n0.638064 0.948883 0.819513 O\n0.861935 0.180487 0.051116 O\n0.668947 0.617524 0.091827 O\n0.831052 0.908173 0.382477 O\n0.331052 0.382477 0.908173 O\n0.528770 0.659767 0.596741 O\n0.971230 0.403259 0.340232 O\n0.138064 0.819512 0.948884 O\n0.028770 0.596741 0.659768 O\n0.471229 0.340232 0.403259 O\n0.168947 0.091827 0.617524 O\n0.361935 0.051116 0.180487 O\n",
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"volume": 255.32862185369683,
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"formula_full": "Ge4 Sb2 O12",
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"spacegroup": 15
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{
"id": "jvasp-103174",
"created_at": "2022-09-04T14:36:45.139072Z",
"updated_at": "2022-09-04T14:36:45.139092Z",
"structure_string": "K2 Dy1 Au1 Cl6\n1.0\n6.494858 -0.000000 3.749808\n2.164953 6.123411 3.749808\n-0.000000 -0.000000 7.499615\nK Dy Au Cl\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 Dy\n0.500000 0.500000 0.500001 Au\n0.753970 0.246029 0.246029 Cl\n0.246030 0.246030 0.753971 Cl\n0.246029 0.753970 0.753971 Cl\n0.246030 0.753970 0.246031 Cl\n0.753970 0.246029 0.753971 Cl\n0.753970 0.753970 0.246030 Cl\n",
"nsites": 10,
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"volume": 298.26482519109055,
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{
"id": "jvasp-103172",
"created_at": "2022-09-04T14:36:45.234775Z",
"updated_at": "2022-09-04T14:36:45.234789Z",
"structure_string": "K2 In1 Ga1 I6\n1.0\n7.301803 -0.000000 4.215698\n2.433935 6.884206 4.215698\n-0.000000 -0.000000 8.431396\nK In Ga I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 In\n0.000000 0.000000 0.000000 Ga\n0.747087 0.252912 0.252913 I\n0.252912 0.252912 0.747088 I\n0.252911 0.747088 0.747089 I\n0.252911 0.747088 0.252913 I\n0.747087 0.252912 0.747089 I\n0.747087 0.747088 0.252913 I\n",
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"volume": 423.8219609713824,
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"formula_full": "K2 In1 Ga1 I6",
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{
"id": "jvasp-10317",
"created_at": "2022-09-04T14:37:18.525104Z",
"updated_at": "2022-09-04T14:37:18.525123Z",
"structure_string": "Mg2 Ti4 O10\n1.0\n3.725505 -0.000000 -0.000000\n-1.862752 5.032454 0.000000\n0.000000 -0.000000 11.389976\nMg Ti O\n2 4 10\ndirect\n0.894902 0.789799 0.750000 Mg\n0.105100 0.210201 0.250000 Mg\n0.201509 0.403016 0.597976 Ti\n0.798493 0.596984 0.402024 Ti\n0.798493 0.596984 0.097976 Ti\n0.201509 0.403016 0.902025 Ti\n0.701286 0.402570 0.250000 O\n0.298716 0.597430 0.750000 O\n0.239303 0.478603 0.077597 O\n0.760701 0.521397 0.922404 O\n0.760701 0.521397 0.577597 O\n0.239303 0.478603 0.422403 O\n0.036593 0.073185 0.628300 O\n0.963408 0.926813 0.371700 O\n0.036593 0.073185 0.871700 O\n0.963408 0.926813 0.128301 O\n",
"nsites": 16,
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"formula_full": "Mg2 Ti4 O10",
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{
"id": "jvasp-103168",
"created_at": "2022-09-04T14:36:45.266802Z",
"updated_at": "2022-09-04T14:36:45.266838Z",
"structure_string": "K2 Sc1 Hg1 F6\n1.0\n5.550968 0.000000 3.204852\n1.850322 5.233502 3.204852\n0.000000 0.000000 6.409705\nK Sc Hg F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Hg\n0.777491 0.222510 0.222509 F\n0.222510 0.222510 0.777491 F\n0.222508 0.777490 0.777491 F\n0.222509 0.777490 0.222510 F\n0.777491 0.222509 0.777491 F\n0.777491 0.777491 0.222508 F\n",
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"volume": 186.20835360726142,
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"formula_anonymous": "ABC2D6",
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},
{
"id": "jvasp-103167",
"created_at": "2022-09-04T14:36:44.796979Z",
"updated_at": "2022-09-04T14:36:44.797000Z",
"structure_string": "K2 Rb1 Rh1 F6\n1.0\n5.573229 -0.000000 3.217705\n1.857743 5.254490 3.217705\n-0.000000 -0.000000 6.435411\nK Rb Rh F\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 Rb\n0.000000 0.000000 0.000000 Rh\n0.781355 0.218645 0.218645 F\n0.218645 0.218645 0.781356 F\n0.218644 0.781355 0.781356 F\n0.218644 0.781355 0.218646 F\n0.781355 0.218645 0.781356 F\n0.781355 0.781355 0.218646 F\n",
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"density": 3.353195336684217,
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"volume": 188.45763928988717,
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"formula_full": "K2 Rb1 Rh1 F6",
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},
{
"id": "jvasp-103164",
"created_at": "2022-09-04T14:36:43.966797Z",
"updated_at": "2022-09-04T14:36:43.966807Z",
"structure_string": "K2 Li1 Nd1 Br6\n1.0\n6.738607 -0.000000 3.890536\n2.246203 6.353219 3.890536\n-0.000000 -0.000000 7.781072\nK Li Nd Br\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 Li\n0.000000 0.000000 0.000000 Nd\n0.741058 0.258942 0.258943 Br\n0.258942 0.258942 0.741058 Br\n0.258942 0.741058 0.741058 Br\n0.258942 0.741058 0.258943 Br\n0.741058 0.258942 0.741058 Br\n0.741058 0.741058 0.258943 Br\n",
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},
{
"id": "jvasp-103162",
"created_at": "2022-09-04T14:36:44.316672Z",
"updated_at": "2022-09-04T14:36:44.316693Z",
"structure_string": "K2 Rb1 Er1 Cl6\n1.0\n6.875513 0.000000 3.969579\n2.291838 6.482295 3.969579\n-0.000000 0.000000 7.939159\nK Rb Er Cl\n2 1 1 6\ndirect\n0.750000 0.750001 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Er\n0.769338 0.230662 0.230662 Cl\n0.230661 0.230662 0.769339 Cl\n0.230661 0.769339 0.769339 Cl\n0.230661 0.769339 0.230661 Cl\n0.769338 0.230662 0.769339 Cl\n0.769338 0.769339 0.230661 Cl\n",
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},
{
"id": "jvasp-103160",
"created_at": "2022-09-04T14:37:10.817024Z",
"updated_at": "2022-09-04T14:37:10.817046Z",
"structure_string": "K2 Na1 In1 Cl6\n1.0\n6.343225 0.000000 3.662263\n2.114408 5.980450 3.662263\n-0.000000 -0.000000 7.324525\nK Na In Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 In\n0.756777 0.243223 0.243223 Cl\n0.243224 0.243223 0.756777 Cl\n0.243224 0.756777 0.756777 Cl\n0.243224 0.756777 0.243223 Cl\n0.756777 0.243223 0.756776 Cl\n0.756777 0.756777 0.243223 Cl\n",
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},
{
"id": "jvasp-10316",
"created_at": "2022-09-04T14:37:18.912174Z",
"updated_at": "2022-09-04T14:37:18.912189Z",
"structure_string": "Sn2 Ge4 O12\n1.0\n5.468944 0.036628 1.266072\n1.498783 6.588415 0.684033\n0.129992 -0.078997 6.789575\nSn Ge O\n2 4 12\ndirect\n0.749999 0.896564 0.103435 Sn\n0.250000 0.103435 0.896565 Sn\n0.735660 0.392239 0.216529 Ge\n0.764338 0.783470 0.607761 Ge\n0.264338 0.607760 0.783471 Ge\n0.235661 0.216529 0.392239 Ge\n0.638766 0.957448 0.815926 O\n0.861232 0.184075 0.042551 O\n0.679194 0.623717 0.080142 O\n0.820804 0.919857 0.376283 O\n0.320804 0.376283 0.919858 O\n0.528092 0.655325 0.601356 O\n-0.028093 0.398644 0.344675 O\n0.138766 0.815924 0.957449 O\n0.028093 0.601355 0.655326 O\n0.471906 0.344674 0.398644 O\n0.179195 0.080142 0.623718 O\n0.361233 0.042551 0.184075 O\n",
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"spacegroup": 15
}
]
}