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{
"id": "jvasp-12481",
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"structure_string": "B3 N3 Cl6\n1.0\n6.042468 -0.081648 -0.271764\n-0.280570 6.036502 -0.271764\n-0.079002 -0.081648 6.048060\nB N Cl\n3 3 6\ndirect\n0.188906 0.932769 0.874417 B\n0.874417 0.188905 0.932771 B\n0.932771 0.874416 0.188907 B\n0.817130 0.062963 0.118762 N\n0.118761 0.817130 0.062964 N\n0.062964 0.118761 0.817130 N\n0.409197 0.850601 0.720858 Cl\n0.720858 0.409196 0.850602 Cl\n0.850602 0.720857 0.409198 Cl\n0.596898 0.139692 0.266807 Cl\n0.266806 0.596898 0.139692 Cl\n0.139692 0.266806 0.596898 Cl\n",
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{
"id": "jvasp-112331",
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"structure_string": "Er4 Zn4 Rh4\n1.0\n3.984211 0.000000 0.000000\n0.000000 6.884303 0.000000\n0.000000 -0.000000 8.074660\nEr Zn Rh\n4 4 4\ndirect\n0.250000 0.540988 0.183024 Er\n0.750000 0.459012 0.816976 Er\n0.750000 0.959011 0.683024 Er\n0.250000 0.040988 0.316976 Er\n0.250000 0.635870 0.564203 Zn\n0.750000 0.364129 0.435797 Zn\n0.750000 0.864129 0.064203 Zn\n0.250000 0.135871 0.935797 Zn\n0.250000 0.751967 0.876271 Rh\n0.750000 0.248032 0.123729 Rh\n0.750000 0.748032 0.376271 Rh\n0.250000 0.251968 0.623729 Rh\n",
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"formula_full": "Er4 Zn4 Rh4",
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{
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"updated_at": "2022-09-04T14:38:06.165012Z",
"structure_string": "Nd2 V2 O8\n1.0\n5.908180 -0.001705 -1.710498\n-3.337514 4.875203 -1.710498\n0.000899 0.001705 6.150805\nNd V O\n2 2 8\ndirect\n0.875000 0.125000 0.750000 Nd\n0.125000 0.874999 0.250000 Nd\n0.625000 0.375000 0.250000 V\n0.375000 0.624999 0.750000 V\n0.794872 0.364324 0.069453 O\n0.794872 0.725419 0.430547 O\n0.635676 0.205129 0.430548 O\n0.205129 0.274581 0.569453 O\n0.205129 0.635675 0.930548 O\n0.274581 0.205129 0.069453 O\n0.725419 0.794871 0.930548 O\n0.364324 0.794871 0.569453 O\n",
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{
"id": "jvasp-29621",
"created_at": "2022-09-04T14:37:57.511923Z",
"updated_at": "2022-09-04T14:37:57.511948Z",
"structure_string": "Ag2 Au2 Cl8\n1.0\n4.070611 -0.000082 0.722898\n2.035774 6.194064 0.357906\n0.025563 -0.153307 11.676579\nAg Au Cl\n2 2 8\ndirect\n0.487431 0.749969 0.250013 Ag\n0.512567 0.250031 0.749988 Ag\n0.000000 0.000000 0.000000 Au\n-0.000001 0.499999 0.500000 Au\n0.859146 0.333037 0.909114 Cl\n0.101276 0.166951 0.590875 Cl\n0.184098 0.631277 0.650947 Cl\n0.466284 0.868744 0.849058 Cl\n0.815901 0.368722 0.349054 Cl\n0.140853 0.666962 0.090886 Cl\n0.898722 0.833048 0.409126 Cl\n0.533715 0.131255 0.150943 Cl\n",
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"formula_full": "Ag2 Au2 Cl8",
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"spacegroup": 15
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{
"id": "jvasp-26561",
"created_at": "2022-09-04T14:37:57.504399Z",
"updated_at": "2022-09-04T14:37:57.504419Z",
"structure_string": "Na2 Mn2 F8\n1.0\n0.000000 5.734013 0.003845\n4.952738 0.000000 0.000000\n0.000000 -1.845359 -5.514060\nNa Mn F\n2 2 8\ndirect\n0.500000 0.500000 -0.000000 Na\n0.499999 0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.309452 0.151483 0.112184 F\n0.690547 0.651483 0.387815 F\n0.690547 0.848518 0.887815 F\n0.309452 0.348518 0.612184 F\n0.879354 0.233199 0.665977 F\n0.120645 0.733200 0.834022 F\n0.120645 0.766801 0.334022 F\n0.879354 0.266801 0.165977 F\n",
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"formula_full": "Na2 Mn2 F8",
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"spacegroup": 14
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{
"id": "jvasp-12384",
"created_at": "2022-09-04T14:38:06.285486Z",
"updated_at": "2022-09-04T14:38:06.285510Z",
"structure_string": "Rb4 Pb2 O6\n1.0\n6.117326 0.000000 0.000000\n0.000000 6.162082 -2.417757\n0.000000 -0.086343 6.618864\nRb Pb O\n4 2 6\ndirect\n0.267295 0.481573 0.807041 Rb\n0.767296 0.192959 0.518426 Rb\n0.767296 0.518427 0.192958 Rb\n0.267295 0.807042 0.481572 Rb\n0.741318 0.904442 0.904441 Pb\n0.241318 0.095558 0.095558 Pb\n0.659641 0.634280 0.634280 O\n0.159641 0.365720 0.365719 O\n0.002226 0.845319 0.107496 O\n0.502226 0.154681 0.892503 O\n0.002226 0.107497 0.845319 O\n0.502226 0.892503 0.154680 O\n",
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"spacegroup": 36
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{
"id": "jvasp-46664",
"created_at": "2022-09-04T14:38:06.552151Z",
"updated_at": "2022-09-04T14:38:06.552163Z",
"structure_string": "Ca5 Mn1 O6\n1.0\n0.000000 2.378459 2.378459\n-4.755296 2.369114 -2.369114\n-7.125160 -4.735131 2.356672\nCa Mn O\n5 1 6\ndirect\n0.835118 0.495266 0.670236 Ca\n0.335400 0.999461 0.670798 Ca\n0.164882 0.504734 0.329764 Ca\n0.500000 0.500000 0.000000 Ca\n0.664601 0.000539 0.329203 Ca\n0.000000 0.000000 0.000000 Mn\n0.917957 0.753114 0.835913 O\n0.421122 0.237769 0.842243 O\n0.251029 0.745767 0.502058 O\n0.578879 0.762230 0.157758 O\n0.748972 0.254233 0.497943 O\n0.082044 0.246885 0.164088 O\n",
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{
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"structure_string": "Na2 Er2 F8\n1.0\n6.232691 -0.000334 4.407298\n3.159544 3.815788 8.753221\n0.043199 -0.000488 6.549860\nNa Er F\n2 2 8\ndirect\n0.000014 0.999987 0.000018 Na\n0.749986 0.500015 0.999980 Na\n0.499995 0.000002 -0.000005 Er\n0.250003 0.499999 0.000005 Er\n0.143820 0.981169 0.268831 F\n0.606194 0.018814 0.231165 F\n0.374995 0.018819 0.731182 F\n0.375007 0.481173 0.268826 F\n0.143805 0.481192 0.768827 F\n0.874992 0.981196 0.768813 F\n0.875007 0.518803 0.231191 F\n0.606174 0.518839 0.731165 F\n",
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{
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{
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"created_at": "2022-09-04T14:38:06.183775Z",
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"structure_string": "Rb4 Ge2 S6\n1.0\n6.317179 -0.000000 2.735971\n2.760807 6.626100 2.286440\n-0.019765 0.005227 8.706596\nRb Ge S\n4 2 6\ndirect\n0.082266 0.199012 0.636455 Rb\n0.917735 0.800988 0.363545 Rb\n0.693745 0.428875 0.183635 Rb\n0.306256 0.571125 0.816364 Rb\n0.379646 0.053798 0.186911 Ge\n0.620355 0.946203 0.813089 Ge\n0.612793 0.181634 0.592781 S\n0.387208 0.818366 0.407219 S\n0.797740 0.630558 0.773965 S\n0.747091 0.000000 -0.000000 S\n0.252909 0.000000 -0.000000 S\n0.202261 0.369443 0.226035 S\n",
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{
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}
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}