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{
"id": "jvasp-113459",
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"structure_string": "K1 Ba1 V4\n1.0\n0.000000 4.265662 4.265662\n4.265662 0.000000 4.265662\n4.265662 4.265662 -0.000000\nK Ba V\n1 1 4\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Ba\n0.207833 0.597389 0.597389 V\n0.597389 0.597389 0.597389 V\n0.597389 0.207833 0.597389 V\n0.597389 0.597389 0.207833 V\n",
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"structure_string": "K2 Rb1 Ir1 F6\n1.0\n5.606458 -0.000000 3.236890\n1.868819 5.285819 3.236890\n-0.000000 -0.000000 6.473780\nK Rb Ir F\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 Rb\n0.000000 0.000000 0.000000 Ir\n0.778643 0.221358 0.221357 F\n0.221358 0.221358 0.778642 F\n0.221358 0.778643 0.778642 F\n0.221358 0.778643 0.221357 F\n0.778643 0.221358 0.778642 F\n0.778643 0.778643 0.221357 F\n",
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{
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"structure_string": "Bi1 P1 S4\n1.0\n-3.191344 3.191344 3.690294\n3.191344 -3.191344 3.690294\n3.191344 3.191344 -3.690294\nBi P S\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Bi\n0.749999 0.249999 0.500000 P\n0.762311 0.349751 0.889456 S\n0.460293 0.872853 0.110544 S\n0.650248 0.539705 0.412560 S\n0.127145 0.237689 0.587439 S\n",
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{
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"created_at": "2022-09-04T14:38:34.734211Z",
"updated_at": "2022-09-04T14:38:34.734236Z",
"structure_string": "Cr4 P2 O10\n1.0\n-3.200445 0.000000 6.407201\n1.980391 -3.802818 3.246053\n1.980391 3.802818 3.246053\nCr P O\n4 2 10\ndirect\n0.500000 -0.000000 -0.000000 Cr\n0.500000 0.500000 -0.000001 Cr\n-0.000000 0.500000 -0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.750000 0.125016 0.374982 P\n0.250000 0.874983 0.625016 P\n0.887894 0.297542 0.306064 O\n0.612106 0.193934 0.202457 O\n0.888014 0.814609 0.306002 O\n0.611986 0.193996 0.685390 O\n0.250000 0.374975 0.125024 O\n0.750000 0.625023 0.874975 O\n0.388014 0.806002 0.314609 O\n0.111986 0.185390 0.693997 O\n0.387894 0.806064 0.797542 O\n0.112106 0.702457 0.693934 O\n",
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{
"id": "jvasp-100559",
"created_at": "2022-09-04T14:36:39.072805Z",
"updated_at": "2022-09-04T14:36:39.072828Z",
"structure_string": "K2 Pt1 Br6\n1.0\n6.380895 0.214628 -5.437473\n-1.149950 5.893183 -5.854571\n-0.021511 -0.214628 8.383404\nK Pt Br\n2 1 6\ndirect\n0.675911 0.675911 -0.000000 K\n0.324088 0.324088 -0.000000 K\n0.000000 0.000000 0.000000 Pt\n0.798819 0.500000 0.298820 Br\n0.375859 0.127411 0.248448 Br\n0.121038 0.872589 0.248448 Br\n0.201180 0.500000 0.701179 Br\n0.878962 0.127411 0.751551 Br\n0.624140 0.872589 0.751551 Br\n",
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{
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"created_at": "2022-09-04T14:36:32.061159Z",
"updated_at": "2022-09-04T14:36:32.061188Z",
"structure_string": "Zn2 Cr2 F10\n1.0\n4.874527 0.100969 -1.835433\n-1.959299 4.774063 -0.713781\n-0.054825 -0.059000 7.427398\nZn Cr F\n2 2 10\ndirect\n0.269460 0.519459 0.750001 Zn\n0.730541 0.480540 0.250001 Zn\n0.000000 0.000000 0.000000 Cr\n0.500001 0.000000 0.500001 Cr\n0.346884 0.096883 0.250000 F\n0.653118 0.903116 0.750001 F\n0.548732 0.692826 0.362443 F\n0.830384 0.186290 0.137559 F\n0.769959 0.664761 0.031773 F\n0.132989 0.738186 0.468228 F\n0.230043 0.335239 0.968228 F\n0.867013 0.261814 0.531773 F\n0.169617 0.813710 0.862443 F\n0.451269 0.307173 0.637559 F\n",
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{
"id": "jvasp-112321",
"created_at": "2022-09-04T14:38:26.538753Z",
"updated_at": "2022-09-04T14:38:26.538780Z",
"structure_string": "Sr6 Sn4 S14\n1.0\n4.009073 -0.000000 0.000000\n0.000000 11.522635 0.000000\n-0.000000 -0.000000 12.808981\nSr Sn S\n6 4 14\ndirect\n0.500000 0.115269 0.150647 Sr\n0.500000 0.884730 0.849353 Sr\n0.500000 0.384731 0.650647 Sr\n0.500000 0.615269 0.349353 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 -0.000000 Sr\n-0.000000 0.282694 0.394115 Sn\n-0.000000 0.717306 0.605885 Sn\n-0.000000 0.217306 0.894115 Sn\n-0.000000 0.782694 0.105885 Sn\n-0.000000 0.797484 0.430455 S\n-0.000000 0.202515 0.569545 S\n-0.000000 0.702515 0.930455 S\n-0.000000 0.297484 0.069545 S\n-0.000000 0.580739 0.176708 S\n-0.000000 0.419260 0.823292 S\n0.500000 0.647338 0.706551 S\n-0.000000 0.080740 0.323292 S\n0.500000 0.852662 0.206551 S\n0.500000 0.147338 0.793449 S\n0.000000 0.000000 0.000000 S\n0.500000 0.352662 0.293449 S\n-0.000000 0.919260 0.676708 S\n-0.000000 0.500000 0.500000 S\n",
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{
"id": "jvasp-100553",
"created_at": "2022-09-04T14:36:37.666915Z",
"updated_at": "2022-09-04T14:36:37.666942Z",
"structure_string": "Mg1 Cd1 C2 O6\n1.0\n4.393786 -0.013472 3.910715\n1.746425 4.031815 3.910715\n-0.020586 -0.013472 5.882059\nMg Cd C O\n1 1 2 6\ndirect\n0.500000 0.500001 0.500000 Mg\n0.000000 0.000000 0.000000 Cd\n0.244728 0.244728 0.244728 C\n0.755272 0.755274 0.755272 C\n0.963530 0.275023 0.496735 O\n0.275021 0.496736 0.963530 O\n0.496735 0.963531 0.275022 O\n0.036470 0.724979 0.503265 O\n0.724979 0.503266 0.036470 O\n0.503265 0.036471 0.724979 O\n",
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{
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"created_at": "2022-09-04T14:36:41.459591Z",
"updated_at": "2022-09-04T14:36:41.459609Z",
"structure_string": "Sn4 Br16\n1.0\n0.000000 10.226287 -0.098152\n6.910093 0.000000 0.000000\n0.000000 -2.199473 -10.106702\nSn Br\n4 16\ndirect\n0.246630 0.080380 0.870701 Sn\n0.753371 0.580380 0.629298 Sn\n0.753371 0.919620 0.129299 Sn\n0.246630 0.419620 0.370701 Sn\n0.562373 0.089090 0.194246 Br\n0.437628 0.589089 0.305753 Br\n0.313575 0.418271 0.932922 Br\n0.686425 0.918270 0.567077 Br\n0.686425 0.581729 0.067077 Br\n0.313575 0.081729 0.432922 Br\n0.053603 0.077627 0.680951 Br\n0.946397 0.922373 0.319048 Br\n0.562373 0.410910 0.694246 Br\n0.053603 0.422373 0.180951 Br\n0.186464 0.591770 0.560669 Br\n0.813537 0.091770 0.939330 Br\n0.813536 0.408230 0.439330 Br\n0.186464 0.908230 0.060669 Br\n0.946398 0.577627 0.819048 Br\n0.437628 0.910910 0.805753 Br\n",
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"formula_full": "Sn4 Br16",
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{
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"created_at": "2022-09-04T14:35:45.676756Z",
"updated_at": "2022-09-04T14:35:45.676767Z",
"structure_string": "Rb1 Ta1 P2 O8\n1.0\n5.027089 -0.035885 0.273621\n2.290206 4.475251 0.273621\n0.064195 0.038947 8.254241\nRb Ta P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n-0.000001 0.000000 0.500000 Ta\n0.637108 0.637108 0.707456 P\n0.362892 0.362892 0.292544 P\n0.319155 0.319154 0.121870 O\n0.773809 0.300449 0.665088 O\n0.226192 0.699551 0.334912 O\n0.300449 0.773809 0.665088 O\n0.699551 0.226191 0.334912 O\n0.680846 0.680846 0.878129 O\n0.220783 0.220783 0.423733 O\n0.779217 0.779216 0.576267 O\n",
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{
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"created_at": "2022-09-04T14:36:02.362516Z",
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"structure_string": "Ca12 Nb16 O48 F8\n1.0\n10.562804 -0.000000 -0.000000\n0.000000 10.562804 -0.000000\n-0.000000 -0.000000 10.562804\nCa Nb O F\n12 16 48 8\ndirect\n0.875000 0.864650 0.614651 Ca\n0.385349 0.375000 0.635349 Ca\n0.135349 0.114651 0.625000 Ca\n0.114651 0.625000 0.135349 Ca\n0.625000 0.135349 0.114651 Ca\n0.364651 0.885349 0.125000 Ca\n0.614651 0.875000 0.864650 Ca\n0.375000 0.635349 0.385349 Ca\n0.864650 0.614651 0.875000 Ca\n0.635349 0.385349 0.375000 Ca\n0.885349 0.125000 0.364651 Ca\n0.125000 0.364651 0.885349 Ca\n0.125000 0.623592 0.626408 Nb\n0.125000 0.125000 0.125000 Nb\n0.625000 0.876407 0.373592 Nb\n0.376408 0.126408 0.375000 Nb\n0.623592 0.626408 0.125000 Nb\n0.625000 0.375000 0.875000 Nb\n0.123592 0.873592 0.875000 Nb\n0.876407 0.373592 0.625000 Nb\n0.375000 0.875000 0.625000 Nb\n0.375000 0.376408 0.126408 Nb\n0.626408 0.125000 0.623592 Nb\n0.875000 0.625000 0.375000 Nb\n0.373592 0.625000 0.876407 Nb\n0.873592 0.875000 0.123592 Nb\n0.875000 0.123592 0.873592 Nb\n0.126408 0.375000 0.376408 Nb\n0.489535 0.491667 0.811803 O\n0.258333 0.739535 0.561803 O\n0.561803 0.258333 0.739535 O\n0.188196 0.989535 0.008333 O\n0.244559 0.747753 0.948749 O\n0.744559 0.752246 0.051250 O\n0.752246 0.051250 0.744559 O\n0.239535 0.938196 0.741667 O\n0.997753 0.994559 0.801250 O\n0.198749 0.497753 0.505440 O\n0.448749 0.255440 0.252247 O\n0.551250 0.755440 0.247753 O\n0.755440 0.247753 0.551250 O\n0.010465 0.508333 0.311804 O\n0.948749 0.244559 0.747753 O\n0.260465 0.061804 0.241667 O\n0.747753 0.948749 0.244559 O\n0.510465 0.991667 0.688196 O\n0.508333 0.311804 0.010465 O\n0.811803 0.489535 0.491667 O\n0.008333 0.188196 0.989535 O\n0.698749 0.002247 0.494559 O\n0.760465 0.438196 0.758332 O\n0.438196 0.758332 0.760465 O\n0.688196 0.510465 0.991667 O\n0.247753 0.551250 0.755440 O\n0.002247 0.494559 0.698749 O\n0.311804 0.010465 0.508333 O\n0.491667 0.811803 0.489535 O\n0.252247 0.448749 0.255440 O\n0.061804 0.241667 0.260465 O\n0.989535 0.008333 0.188196 O\n0.051250 0.744559 0.752246 O\n0.505440 0.198749 0.497753 O\n0.991667 0.688196 0.510465 O\n0.741667 0.239535 0.938196 O\n0.494559 0.698749 0.002247 O\n0.739535 0.561803 0.258333 O\n0.502246 0.005440 0.301250 O\n0.938196 0.741667 0.239535 O\n0.005440 0.301250 0.502246 O\n0.301250 0.502246 0.005440 O\n0.758332 0.760465 0.438196 O\n0.255440 0.252247 0.448749 O\n0.801250 0.997753 0.994559 O\n0.497753 0.505440 0.198749 O\n0.994559 0.801250 0.997753 O\n0.241667 0.260465 0.061804 O\n0.239243 0.260756 0.739243 F\n0.510756 0.989243 0.010757 F\n0.010757 0.510756 0.989243 F\n0.489243 0.489243 0.489243 F\n0.260756 0.739243 0.239243 F\n0.739243 0.239243 0.260756 F\n0.989243 0.010757 0.510756 F\n0.760756 0.760756 0.760756 F\n",
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}