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{
"id": "jvasp-42609",
"created_at": "2022-09-04T14:37:29.552278Z",
"updated_at": "2022-09-04T14:37:29.552292Z",
"structure_string": "Li4 Fe4 F16\n1.0\n0.000000 6.948688 0.016907\n4.885716 0.000000 0.000000\n0.000000 -1.424557 -7.102393\nLi Fe F\n4 4 16\ndirect\n0.841426 0.248003 0.144255 Li\n0.341426 0.251998 0.144256 Li\n0.658574 0.748003 0.855744 Li\n0.158573 0.751998 0.855744 Li\n0.692481 0.745658 0.325285 Fe\n0.192481 0.754343 0.325285 Fe\n0.807519 0.245658 0.674714 Fe\n0.307519 0.254343 0.674714 Fe\n0.405727 0.566194 0.801234 F\n0.905728 0.933807 0.801234 F\n0.557741 0.097191 0.679407 F\n0.191682 0.928686 0.557171 F\n0.057741 0.402809 0.679407 F\n0.691682 0.571315 0.557170 F\n0.308318 0.428686 0.442829 F\n0.094272 0.066194 0.198765 F\n0.808318 0.071315 0.442829 F\n0.442258 0.902809 0.320592 F\n0.807822 0.415807 0.902265 F\n0.594272 0.433807 0.198765 F\n0.192178 0.584193 0.097734 F\n0.692178 0.915808 0.097734 F\n0.942258 0.597192 0.320592 F\n0.307822 0.084193 0.902265 F\n",
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{
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"structure_string": "Zn2 Cu2 F8\n1.0\n-4.956186 0.000615 0.152354\n-0.001135 -5.573983 -0.012007\n2.320807 2.775420 4.999144\nZn Cu F\n2 2 8\ndirect\n0.249485 0.201609 0.500844 Zn\n0.749511 0.798723 0.500865 Zn\n0.499505 0.000182 0.000867 Cu\n-0.000516 0.500159 0.000838 Cu\n0.330258 0.251413 0.231174 F\n0.177802 0.002887 0.716243 F\n0.668680 0.748892 0.770520 F\n0.168591 0.521095 0.770418 F\n0.821184 0.997481 0.285492 F\n0.321196 0.787417 0.285442 F\n0.830324 0.479247 0.231231 F\n0.677778 0.212866 0.716237 F\n",
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{
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"created_at": "2022-09-04T14:38:11.877165Z",
"updated_at": "2022-09-04T14:38:11.877200Z",
"structure_string": "Ba4 Li1 Mo1\n1.0\n-0.000000 4.938756 4.938756\n4.938756 0.000000 4.938756\n4.938756 4.938756 -0.000000\nBa Li Mo\n4 1 1\ndirect\n0.121561 0.626147 0.626147 Ba\n0.626147 0.626147 0.626147 Ba\n0.626147 0.121561 0.626147 Ba\n0.626147 0.626147 0.121561 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Mo\n",
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{
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"created_at": "2022-09-04T14:37:17.150475Z",
"updated_at": "2022-09-04T14:37:17.150494Z",
"structure_string": "Mg2 U2 O8\n1.0\n5.440017 0.023073 -2.040610\n-2.868347 4.769570 -1.667990\n-0.003970 -0.023073 5.810151\nMg U O\n2 2 8\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.034616 0.250000 0.284616 U\n0.965383 0.750000 0.715383 U\n0.807833 0.475138 0.282972 O\n0.192167 0.524862 0.717028 O\n0.807833 0.024861 0.832695 O\n0.192166 0.975139 0.167304 O\n0.731617 0.948738 0.282880 O\n0.665858 0.448738 0.717120 O\n0.334142 0.551261 0.282880 O\n0.268382 0.051262 0.717120 O\n",
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"volume": 150.75495114349263,
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{
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"created_at": "2022-09-04T14:37:29.323192Z",
"updated_at": "2022-09-04T14:37:29.323205Z",
"structure_string": "K4 In4 Br16\n1.0\n7.894724 0.000000 0.000000\n0.000000 10.357366 0.000000\n0.000000 0.000000 10.275942\nK In Br\n4 4 16\ndirect\n0.823154 0.250000 0.250000 K\n0.676845 0.250000 0.750000 K\n0.176845 0.750000 0.750000 K\n0.323155 0.750000 0.250000 K\n0.250000 0.321145 0.500000 In\n0.250000 0.178855 0.000000 In\n0.750000 0.678855 0.500000 In\n0.750000 0.821145 0.000000 In\n0.993881 0.178233 0.545163 Br\n0.993881 0.321767 0.954837 Br\n0.493881 0.678233 0.954837 Br\n0.493881 0.821767 0.545163 Br\n0.006119 0.821767 0.454837 Br\n0.006119 0.678233 0.045163 Br\n0.151907 0.044331 0.192991 Br\n0.848092 0.955669 0.807009 Br\n0.348093 0.455669 0.692991 Br\n0.348093 0.044331 0.807009 Br\n0.506118 0.178233 0.454837 Br\n0.848092 0.544332 0.692991 Br\n0.651907 0.544332 0.307009 Br\n0.651907 0.955669 0.192991 Br\n0.151907 0.455669 0.307009 Br\n0.506118 0.321767 0.045163 Br\n",
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{
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"created_at": "2022-09-04T14:37:17.621241Z",
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"structure_string": "Li2 V2 F8\n1.0\n0.000000 3.089164 -0.003335\n6.605259 0.000000 0.000000\n0.000000 -0.007368 -6.432537\nLi V F\n2 2 8\ndirect\n-0.000145 0.500000 0.754232 Li\n0.000148 0.000000 0.254261 Li\n0.499871 0.500000 0.254255 V\n0.500126 0.000000 0.754214 V\n0.000117 0.808476 0.754200 F\n0.000117 0.191524 0.754200 F\n0.500084 0.000000 0.459472 F\n0.499942 0.500000 0.548993 F\n0.500141 0.000000 0.048952 F\n0.499829 0.500000 0.959513 F\n-0.000118 0.308475 0.254259 F\n-0.000118 0.691525 0.254259 F\n",
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"density": 3.3874160453908035,
"density_atomic": 0.09142555375304681,
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"formula_full": "Li2 V2 F8",
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{
"id": "jvasp-34315",
"created_at": "2022-09-04T14:37:12.211884Z",
"updated_at": "2022-09-04T14:37:12.211919Z",
"structure_string": "Cu2 Se2 O8\n1.0\n4.892506 0.196590 0.000000\n-1.909757 4.508668 0.000000\n0.000000 0.000000 6.517556\nCu Se O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.647697 0.352303 0.250000 Se\n0.352303 0.647697 0.750001 Se\n0.757039 0.242962 0.467392 O\n0.242961 0.757039 0.532609 O\n0.228257 0.275053 0.750001 O\n0.771743 0.724947 0.250000 O\n0.757039 0.242962 0.032608 O\n0.242961 0.757039 0.967392 O\n0.724947 0.771743 0.750001 O\n0.275053 0.228257 0.250000 O\n",
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"density": 4.690431801157389,
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"volume": 146.2156618965979,
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"formula_full": "Cu2 Se2 O8",
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{
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"created_at": "2022-09-04T14:37:05.720104Z",
"updated_at": "2022-09-04T14:37:05.720126Z",
"structure_string": "Ba2 Ca2 I8\n1.0\n-5.362621 4.957156 5.145889\n5.362621 -4.957156 5.145889\n5.362621 4.957156 -5.145889\nBa Ca I\n2 2 8\ndirect\n0.349702 0.250000 0.099702 Ba\n0.650299 0.750000 0.900299 Ba\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.697609 0.071514 0.269123 I\n0.761972 0.561270 0.200701 I\n0.860570 0.061270 0.799300 I\n0.697609 0.428486 0.626095 I\n0.302391 0.571514 0.373905 I\n0.238029 0.438730 0.799299 I\n0.139431 0.938730 0.200701 I\n0.302391 0.928486 0.730877 I\n",
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{
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"created_at": "2022-09-04T14:37:12.256661Z",
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"structure_string": "Sb2 P2 O8\n1.0\n0.000000 4.745256 -0.041581\n6.861439 0.000000 0.000000\n0.000000 -0.547570 -5.037905\nSb P O\n2 2 8\ndirect\n0.192531 0.750000 0.168138 Sb\n0.807470 0.250000 0.831862 Sb\n0.716455 0.750000 0.612308 P\n0.283546 0.250000 0.387693 P\n0.175856 0.428272 0.224503 O\n0.824145 0.928272 0.775497 O\n0.824145 0.571728 0.775497 O\n0.175856 0.071728 0.224503 O\n0.185960 0.250000 0.674693 O\n0.814040 0.750000 0.325307 O\n0.612988 0.250000 0.440164 O\n0.387013 0.750000 0.559837 O\n",
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{
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{
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{
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}
]
}