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"id": "jvasp-103210",
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"structure_string": "Rb6 Mn2 F14\n1.0\n7.989778 -0.000000 -0.000000\n-0.000000 7.989778 -0.000000\n0.000000 0.000000 5.913390\nRb Mn F\n6 2 14\ndirect\n0.188547 0.688547 0.500000 Rb\n0.688547 0.811453 0.500000 Rb\n0.311453 0.188547 0.500000 Rb\n0.811453 0.311453 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Rb\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.338159 0.161842 0.000000 F\n0.838159 0.338159 0.000000 F\n0.500000 0.500000 0.500000 F\n0.000000 0.000000 0.500000 F\n0.613026 0.113026 0.221772 F\n0.113026 0.386974 0.221772 F\n0.113026 0.386974 0.778228 F\n0.386974 0.886975 0.221772 F\n0.886975 0.613026 0.778228 F\n0.661842 0.838159 0.000000 F\n0.613026 0.113026 0.778228 F\n0.386974 0.886975 0.778228 F\n0.886975 0.613026 0.221772 F\n0.161842 0.661842 0.000000 F\n",
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{
"id": "jvasp-34433",
"created_at": "2022-09-04T14:38:14.382832Z",
"updated_at": "2022-09-04T14:38:14.382850Z",
"structure_string": "Li3 Mn3 Fe3 F18\n1.0\n4.284180 -7.420418 -0.000000\n4.284180 7.420418 0.000000\n0.000000 0.000000 4.644262\nLi Mn Fe F\n3 3 3 18\ndirect\n-0.000000 0.701889 0.500000 Li\n0.701889 -0.000000 0.500000 Li\n0.298111 0.298111 0.500000 Li\n0.361803 -0.000000 0.000000 Mn\n0.638197 0.638197 0.000000 Mn\n-0.000000 0.361803 0.000000 Mn\n0.333333 0.666667 0.502680 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.497319 Fe\n0.419955 0.543862 0.731389 F\n0.455641 0.220767 0.724267 F\n0.220767 0.455641 0.275733 F\n0.234874 0.779233 0.275733 F\n0.544359 0.765126 0.275733 F\n0.456138 0.876093 0.731389 F\n0.123907 0.580045 0.731389 F\n0.543862 0.419955 0.268611 F\n0.100516 0.212621 0.776143 F\n0.580045 0.123907 0.268611 F\n0.112105 0.899484 0.776143 F\n0.765126 0.544359 0.724267 F\n0.787378 0.887894 0.776143 F\n0.899484 0.112105 0.223856 F\n0.887894 0.787378 0.223856 F\n0.212621 0.100516 0.223856 F\n0.876093 0.456138 0.268611 F\n0.779233 0.234874 0.724267 F\n",
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{
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"created_at": "2022-09-04T14:38:50.579879Z",
"updated_at": "2022-09-04T14:38:50.579900Z",
"structure_string": "Mn1 F3\n1.0\n3.792050 0.114916 -0.538043\n0.217032 -2.936050 0.242208\n1.306798 -2.262745 -4.232863\nMn F\n1 3\ndirect\n0.411718 0.100903 0.897731 Mn\n0.911698 0.100931 0.897747 F\n0.553989 -0.225376 0.597893 F\n0.269340 0.427229 0.197580 F\n",
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{
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"created_at": "2022-09-04T14:35:41.655530Z",
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"structure_string": "Ba1 Sb1 Cl1\n1.0\n0.000000 3.969662 3.969662\n3.969662 0.000000 3.969662\n3.969662 3.969662 0.000000\nBa Sb Cl\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-49852",
"created_at": "2022-09-04T14:37:11.981952Z",
"updated_at": "2022-09-04T14:37:11.981974Z",
"structure_string": "Ba2 Ca4 I12\n1.0\n7.590095 -0.000000 0.000000\n-0.000000 7.590095 0.000000\n0.000000 0.000000 14.435256\nBa Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.332528 Ca\n0.000000 0.000000 0.667472 Ca\n0.500000 0.500000 0.167472 Ca\n0.500000 0.500000 0.832528 Ca\n0.815641 0.184358 0.500000 I\n0.684358 0.684358 0.000000 I\n0.707897 0.707897 0.680251 I\n0.707897 0.707897 0.319749 I\n0.292102 0.292102 0.680251 I\n0.184358 0.815641 0.500000 I\n0.315641 0.315641 0.000000 I\n0.792102 0.207898 0.180251 I\n0.207898 0.792102 0.819749 I\n0.207898 0.792102 0.180251 I\n0.292102 0.292102 0.319749 I\n0.792102 0.207898 0.819749 I\n",
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{
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"created_at": "2022-09-04T14:38:11.337888Z",
"updated_at": "2022-09-04T14:38:11.337907Z",
"structure_string": "Ca4 Ti4 O8\n1.0\n3.014439 -0.008686 0.018296\n-1.482502 8.155186 -0.146497\n-0.052057 -0.630652 8.303838\nCa Ti O\n4 4 8\ndirect\n0.731092 0.962220 0.326682 Ca\n0.268908 0.037780 0.673319 Ca\n0.876389 0.252941 0.059577 Ca\n0.123612 0.747059 0.940423 Ca\n0.584283 0.668307 0.597260 Ti\n0.050341 0.600848 0.278467 Ti\n0.949659 0.399152 0.721533 Ti\n0.415717 0.331693 0.402740 Ti\n0.852215 0.204340 0.532988 O\n0.529749 0.559248 0.805120 O\n0.470252 0.440753 0.194881 O\n0.147785 0.795661 0.467012 O\n0.686562 0.873075 0.774593 O\n0.618039 0.736066 0.159014 O\n0.313438 0.126925 0.225407 O\n0.381962 0.263935 0.840987 O\n",
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"volume": 203.77520806566548,
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"formula_full": "Ca4 Ti4 O8",
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{
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"structure_string": "Mn1 Be2 Si1\n1.0\n2.421981 -0.000000 0.000000\n-0.000000 2.421981 0.000000\n0.000000 -0.000000 7.316290\nMn Be Si\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.775478 Be\n0.000000 0.000000 0.224522 Be\n0.500000 0.500000 0.500000 Si\n",
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{
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"structure_string": "Cr1 H1 F4\n1.0\n3.034881 -0.060769 0.511001\n-0.040786 4.000398 0.196565\n0.914870 0.664453 4.701742\nCr H F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 H\n0.381867 0.113217 0.220697 F\n0.828461 0.581338 0.287926 F\n0.618133 -0.113219 0.779303 F\n0.171538 0.418662 0.712072 F\n",
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"structure_string": "Cu6 C4 O16\n1.0\n5.592391 -0.000000 0.000000\n0.000000 4.935289 0.394296\n-0.000000 -0.068358 10.538568\nCu C O\n6 4 16\ndirect\n0.500000 -0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.004702 0.758046 0.583694 Cu\n0.504702 0.241953 0.916306 Cu\n0.995297 0.241953 0.416306 Cu\n0.495297 0.758047 0.083694 Cu\n0.687385 0.675130 0.318838 C\n0.187385 0.324870 0.181162 C\n0.812615 0.675129 0.818839 C\n0.312615 0.324870 0.681162 C\n0.725516 0.535143 0.916921 O\n0.295702 0.410938 0.793153 O\n0.795701 0.589062 0.706848 O\n0.774484 0.535143 0.416921 O\n0.274484 0.464857 0.083079 O\n0.225516 0.464856 0.583079 O\n0.580676 0.903204 0.333821 O\n0.683699 0.061296 0.044732 O\n0.419324 0.096796 0.666179 O\n0.919324 0.903204 0.833821 O\n0.183700 0.938704 0.455269 O\n0.204298 0.410938 0.293153 O\n0.816300 0.061296 0.544732 O\n0.316300 0.938703 0.955269 O\n0.080676 0.096796 0.166179 O\n0.704298 0.589062 0.206848 O\n",
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}