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{
"id": "jvasp-50960",
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{
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"structure_string": "Cu4 As2 Cl2 O8\n1.0\n4.883220 0.000000 -0.089361\n0.000000 6.785073 0.000000\n0.004808 0.000000 6.716592\nCu As Cl O\n4 2 2 8\ndirect\n0.345832 0.250000 0.266011 Cu\n0.654168 0.750000 0.733988 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n0.498077 0.750000 0.239154 As\n0.501923 0.250000 0.760846 As\n0.821559 0.250000 0.261664 Cl\n0.178441 0.750000 0.738336 Cl\n0.286562 0.546368 0.206660 O\n0.713439 0.046368 0.793340 O\n0.750857 0.750000 0.049388 O\n0.286562 0.953631 0.206660 O\n0.307202 0.250000 0.551587 O\n0.692799 0.750000 0.448412 O\n0.713439 0.453632 0.793340 O\n0.249143 0.250000 0.950612 O\n",
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{
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"created_at": "2022-09-04T14:36:33.918688Z",
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"structure_string": "K2 Na1 La1 Cl6\n1.0\n6.623097 -0.000000 3.823847\n2.207699 6.244316 3.823847\n-0.000000 -0.000000 7.647693\nK Na La 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 Na\n0.000000 0.000000 0.000000 La\n0.746145 0.253855 0.253855 Cl\n0.253855 0.253855 0.746145 Cl\n0.253855 0.746146 0.746145 Cl\n0.253855 0.746146 0.253855 Cl\n0.746145 0.253855 0.746145 Cl\n0.746145 0.746146 0.253855 Cl\n",
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{
"id": "jvasp-100325",
"created_at": "2022-09-04T14:36:33.884784Z",
"updated_at": "2022-09-04T14:36:33.884805Z",
"structure_string": "V1 Cu3 Te2 Se2\n1.0\n5.763940 -0.008245 0.000000\n-0.158445 5.761767 0.000000\n0.000000 0.000000 5.737673\nV Cu Te Se\n1 3 2 2\ndirect\n0.000000 0.000000 0.004722 V\n0.500000 0.000000 0.011223 Cu\n0.000000 0.500000 0.011223 Cu\n0.000000 0.000000 0.495851 Cu\n0.735968 0.735968 0.744877 Te\n0.264033 0.264033 0.744877 Te\n0.234618 0.765383 0.243613 Se\n0.765383 0.234618 0.243613 Se\n",
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"formula_full": "V1 Cu3 Te2 Se2",
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{
"id": "jvasp-85532",
"created_at": "2022-09-04T14:36:17.402604Z",
"updated_at": "2022-09-04T14:36:17.402632Z",
"structure_string": "Fe3 Pb4 Cl1 O8\n1.0\n3.925689 0.000022 -0.000217\n0.000029 3.925761 0.000080\n0.000784 -0.000849 15.108706\nFe Pb Cl O\n3 4 1 8\ndirect\n0.500062 0.500013 0.871737 Fe\n0.499969 0.499933 0.366124 Fe\n0.499983 0.500032 0.618931 Fe\n0.000283 0.999704 0.736160 Pb\n0.999942 0.999949 0.242723 Pb\n0.000165 0.999638 0.501675 Pb\n0.000043 0.000060 -0.004852 Pb\n0.499973 0.500030 0.118989 Cl\n0.499867 0.000080 0.618931 O\n0.499908 0.500161 0.747057 O\n0.000036 0.500065 0.900228 O\n0.499902 0.500136 0.490807 O\n0.499936 0.999960 0.337667 O\n-0.000049 0.500204 0.618931 O\n0.999952 0.499981 0.337666 O\n0.500025 0.000048 0.900228 O\n",
"nsites": 16,
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{
"id": "jvasp-99672",
"created_at": "2022-09-04T14:36:33.878617Z",
"updated_at": "2022-09-04T14:36:33.878640Z",
"structure_string": "Rb2 In1 As1 Br6\n1.0\n6.886187 0.000000 3.975742\n2.295395 6.492359 3.975742\n-0.000000 -0.000000 7.951483\nRb In As Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.499999 In\n0.000000 0.000000 0.000000 As\n0.761759 0.238242 0.238241 Br\n0.238242 0.238242 0.761758 Br\n0.238242 0.761758 0.761757 Br\n0.238242 0.761758 0.238241 Br\n0.761759 0.238242 0.761758 Br\n0.761759 0.761758 0.238241 Br\n",
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{
"id": "jvasp-47356",
"created_at": "2022-09-04T14:36:33.905224Z",
"updated_at": "2022-09-04T14:36:33.905247Z",
"structure_string": "Li4 Si4 W2 O14\n1.0\n5.352003 -0.019045 0.002512\n0.528986 6.045744 -0.060574\n0.444704 2.774006 8.214664\nLi Si W O\n4 4 2 14\ndirect\n0.304781 0.944137 0.149921 Li\n0.216568 0.807860 0.527589 Li\n0.783431 0.192140 0.472411 Li\n0.695219 0.055862 0.850079 Li\n0.696932 0.734674 0.344677 Si\n0.207231 0.794783 0.875054 Si\n0.792769 0.205216 0.124946 Si\n0.303068 0.265325 0.655323 Si\n0.759497 0.577080 0.719124 W\n0.240503 0.422919 0.280876 W\n0.228300 0.684906 0.070202 O\n0.287849 0.067489 0.840292 O\n0.235371 0.159633 0.509122 O\n0.581399 0.308293 0.230602 O\n0.076233 0.187269 0.192690 O\n0.923766 0.812730 0.807310 O\n0.101768 0.480435 0.654640 O\n0.764629 0.840367 0.490878 O\n0.712150 0.932510 0.159708 O\n0.771699 0.315094 0.929798 O\n0.898231 0.519565 0.345360 O\n0.601629 0.319979 0.639965 O\n0.418600 0.691707 0.769398 O\n0.398370 0.680020 0.360034 O\n",
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{
"id": "jvasp-107866",
"created_at": "2022-09-04T14:36:37.248923Z",
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"structure_string": "Rb2 Al1 Tl1 Cl6\n1.0\n6.509881 -0.000000 3.758481\n2.169960 6.137575 3.758481\n-0.000000 -0.000000 7.516963\nRb Al Tl Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Tl\n0.780398 0.219602 0.219602 Cl\n0.219602 0.219602 0.780398 Cl\n0.219602 0.780397 0.780398 Cl\n0.219602 0.780397 0.219602 Cl\n0.780398 0.219602 0.780398 Cl\n0.780398 0.780397 0.219602 Cl\n",
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{
"id": "jvasp-100126",
"created_at": "2022-09-04T14:36:21.570587Z",
"updated_at": "2022-09-04T14:36:21.570612Z",
"structure_string": "Rb2 Li1 Er1 Cl6\n1.0\n6.270355 -0.000000 3.620191\n2.090118 5.911747 3.620191\n-0.000000 -0.000000 7.240381\nRb Li Er 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 Li\n0.000000 0.000000 0.000000 Er\n0.746830 0.253170 0.253170 Cl\n0.253169 0.253170 0.746830 Cl\n0.253169 0.746831 0.746830 Cl\n0.253169 0.746831 0.253169 Cl\n0.746830 0.253170 0.746830 Cl\n0.746830 0.746831 0.253169 Cl\n",
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"structure_string": "Al1 Cu3 Hg1 Se4\n1.0\n5.910992 0.000000 0.000000\n0.000000 5.910992 0.000000\n-0.000000 -0.000000 5.910992\nAl Cu Hg Se\n1 3 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.500000 0.500000 0.500000 Hg\n0.235733 0.235733 0.235733 Se\n0.764267 0.764267 0.235733 Se\n0.235733 0.764267 0.764267 Se\n0.764267 0.235733 0.764267 Se\n",
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{
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"structure_string": "Rb2 Tm1 Au1 Cl6\n1.0\n6.474698 -0.000000 3.738169\n2.158233 6.104404 3.738169\n-0.000000 -0.000000 7.476337\nRb Tm Au Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Au\n0.755967 0.244033 0.244033 Cl\n0.244033 0.244033 0.755967 Cl\n0.244033 0.755967 0.755968 Cl\n0.244033 0.755967 0.244034 Cl\n0.755967 0.244033 0.755967 Cl\n0.755967 0.755967 0.244034 Cl\n",
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{
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"created_at": "2022-09-04T14:36:09.642809Z",
"updated_at": "2022-09-04T14:36:09.642845Z",
"structure_string": "Li2 Er2 P8 O24\n1.0\n6.436966 0.000232 2.783262\n2.211763 7.685141 3.720853\n0.003065 0.023232 8.829024\nLi Er P O\n2 2 8 24\ndirect\n0.293220 0.750010 0.249991 Li\n0.706781 0.249990 0.750008 Li\n0.796432 0.750000 0.249995 Er\n0.203569 0.249999 0.750004 Er\n0.688478 0.884820 0.841234 P\n0.311523 0.115179 0.158765 P\n0.001560 0.694767 0.597359 P\n0.293689 0.805233 0.902634 P\n0.706312 0.194766 0.097365 P\n0.414546 0.615174 0.658763 P\n0.998441 0.305233 0.402639 P\n0.585455 0.384826 0.341236 P\n0.329877 0.644554 0.845237 O\n0.986511 0.279838 0.584719 O\n0.986661 0.524030 0.735866 O\n0.148917 0.779842 0.084715 O\n0.167796 0.184434 0.042617 O\n0.819650 0.855451 0.654754 O\n0.783002 0.262443 0.424000 O\n0.436080 0.925177 0.201218 O\n0.753438 0.024025 0.235869 O\n0.216999 0.737556 0.575999 O\n0.013490 0.720161 0.415280 O\n0.246563 0.975975 0.764129 O\n0.530558 0.762439 0.924009 O\n0.013340 0.475970 0.264133 O\n0.670124 0.355445 0.154762 O\n0.563921 0.074822 0.798780 O\n0.394839 0.315572 0.457398 O\n0.832205 0.815565 0.957382 O\n0.562466 0.574821 0.298772 O\n0.180351 0.144549 0.345245 O\n0.437535 0.425178 0.701227 O\n0.851084 0.220157 0.915284 O\n0.469443 0.237560 0.075990 O\n0.605162 0.684427 0.542601 O\n",
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}