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{
"id": "jvasp-12913",
"created_at": "2022-09-04T14:36:57.416883Z",
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{
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"structure_string": "Ce2 Zr1 O6\n1.0\n3.797248 0.000000 0.000000\n-1.898624 3.288513 0.000000\n-0.000000 -0.000000 9.184015\nCe Zr O\n2 1 6\ndirect\n0.333334 0.666666 0.675198 Ce\n0.666667 0.333333 0.324802 Ce\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.069884 O\n0.000000 0.000000 0.765364 O\n0.333334 0.666666 0.412539 O\n0.333334 0.666666 0.930117 O\n0.666667 0.333333 0.587462 O\n0.000000 0.000000 0.234637 O\n",
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{
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"structure_string": "U1 V2 O6\n1.0\n4.939758 -0.000000 0.000000\n-2.469879 4.277956 0.000000\n-0.000000 -0.000000 4.870232\nU V O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 U\n0.666667 0.333334 0.500000 V\n0.333334 0.666667 0.500000 V\n0.344745 0.344745 0.728175 O\n0.655255 0.000000 0.728175 O\n0.000000 0.655256 0.728175 O\n0.344745 0.000000 0.271825 O\n0.000000 0.344745 0.271825 O\n0.655255 0.655256 0.271825 O\n",
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"density_atomic": 0.08744819966065709,
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{
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"created_at": "2022-09-04T14:37:01.517260Z",
"updated_at": "2022-09-04T14:37:01.517283Z",
"structure_string": "Ba2 Ca1 I6\n1.0\n8.420333 -0.000000 -0.000930\n-4.210166 7.292286 0.000466\n0.000223 -0.000000 7.073500\nBa Ca I\n2 1 6\ndirect\n0.333299 0.666670 0.500006 Ba\n0.666629 0.333331 0.500005 Ba\n-0.000009 0.000000 0.000012 Ca\n0.999968 0.681674 0.766852 I\n0.999969 0.318287 0.233195 I\n0.318295 0.318327 0.766852 I\n0.681682 0.681713 0.233195 I\n0.318357 0.000000 0.233087 I\n0.681707 0.000000 0.766796 I\n",
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{
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"created_at": "2022-09-04T14:37:05.519424Z",
"updated_at": "2022-09-04T14:37:05.519442Z",
"structure_string": "Ti1 Bi2 O6\n1.0\n5.364388 -0.000000 -0.000000\n0.000000 5.364388 -0.000000\n-0.000000 0.000000 4.651859\nTi Bi O\n1 2 6\ndirect\n0.500000 0.500000 0.594650 Ti\n0.500000 0.000000 0.996077 Bi\n0.000000 0.500000 0.996077 Bi\n0.741330 0.741330 0.730494 O\n0.258671 0.741330 0.730494 O\n0.000000 0.000000 0.177809 O\n0.500000 0.500000 0.207500 O\n0.258671 0.258671 0.730494 O\n0.741330 0.258671 0.730494 O\n",
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{
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"created_at": "2022-09-04T14:36:58.233879Z",
"updated_at": "2022-09-04T14:36:58.233894Z",
"structure_string": "Y6 Fe1 Bi2\n1.0\n8.322014 0.000000 0.000000\n-4.161007 7.207076 0.000000\n-0.000000 -0.000000 4.148512\nY Fe Bi\n6 1 2\ndirect\n0.230546 -0.000000 0.500000 Y\n-0.000000 0.230546 0.500000 Y\n0.769454 0.769454 0.500000 Y\n0.605474 -0.000000 -0.000000 Y\n-0.000000 0.605474 -0.000000 Y\n0.394526 0.394526 -0.000000 Y\n0.000000 0.000000 0.000000 Fe\n0.333333 0.666667 0.500000 Bi\n0.666666 0.333334 0.500000 Bi\n",
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{
"id": "jvasp-12523",
"created_at": "2022-09-04T14:37:05.173994Z",
"updated_at": "2022-09-04T14:37:05.174009Z",
"structure_string": "K4 Te2 Br12\n1.0\n7.338840 0.000000 0.000000\n-0.000000 7.338840 0.000000\n-0.000000 -0.000000 11.119901\nK Te Br\n4 2 12\ndirect\n0.000000 0.500000 0.250000 K\n0.500000 0.000000 0.750000 K\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.250000 K\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.697988 0.184484 0.500000 Br\n0.315516 0.802012 0.000000 Br\n0.684484 0.197988 0.000000 Br\n0.197988 0.315516 0.000000 Br\n0.500000 0.500000 0.746737 Br\n0.000000 0.000000 0.246737 Br\n0.500000 0.500000 0.253263 Br\n0.302012 0.815516 0.500000 Br\n0.815516 0.697988 0.500000 Br\n0.184484 0.302012 0.500000 Br\n0.000000 0.000000 0.753263 Br\n0.802012 0.684484 0.000000 Br\n",
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"formula_full": "K4 Te2 Br12",
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{
"id": "jvasp-57379",
"created_at": "2022-09-04T14:37:01.611321Z",
"updated_at": "2022-09-04T14:37:01.611351Z",
"structure_string": "Bi4 W2 O12\n1.0\n-3.870019 -0.009348 0.023111\n-0.020787 -8.275266 -0.022866\n1.890682 1.685937 7.949976\nBi W O\n4 2 12\ndirect\n0.689120 0.604693 0.359274 Bi\n0.310882 0.395307 0.640726 Bi\n0.319938 0.928457 0.667828 Bi\n0.680064 0.071543 0.332172 Bi\n0.036462 0.703609 0.007299 W\n0.963539 0.296391 0.992701 W\n0.926461 0.830823 0.854247 O\n0.248583 0.118763 0.495342 O\n0.088958 0.841261 0.216200 O\n0.080703 0.512548 0.156061 O\n0.911044 0.158739 0.783799 O\n0.919299 0.487453 0.843938 O\n0.262874 0.636052 0.535718 O\n0.512110 0.686327 0.012268 O\n0.737127 0.363948 0.464282 O\n0.751419 0.881237 0.504658 O\n0.073541 0.169177 0.145753 O\n0.487892 0.313674 0.987731 O\n",
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"formula_full": "Bi4 W2 O12",
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"spacegroup": 2
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{
"id": "jvasp-8324",
"created_at": "2022-09-04T14:37:04.700167Z",
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"structure_string": "Mg1 V2 O6\n1.0\n5.101759 0.001942 -0.008902\n2.548690 4.712357 -0.005972\n0.009684 0.002976 5.545429\nMg V O\n1 2 6\ndirect\n0.183112 0.633751 0.499990 Mg\n0.316468 0.366974 0.000013 V\n0.690897 0.618143 0.000035 V\n0.004829 0.501738 0.782111 O\n0.493428 0.501616 0.217932 O\n0.505640 0.988544 0.000023 O\n0.493467 0.501615 0.782103 O\n0.004839 0.501690 0.217929 O\n0.981226 0.038090 0.499871 O\n",
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"formula_full": "Mg1 V2 O6",
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"spacegroup": 38
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{
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"created_at": "2022-09-04T14:37:02.256807Z",
"updated_at": "2022-09-04T14:37:02.256833Z",
"structure_string": "Ti2 Se4 O12\n1.0\n0.000000 4.777029 -0.094528\n8.375137 0.000000 0.000000\n0.000000 -2.410280 -6.310055\nTi Se O\n2 4 12\ndirect\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.126514 0.641391 0.828462 Se\n0.873487 0.141391 0.671539 Se\n0.873487 0.358609 0.171539 Se\n0.126514 0.858610 0.328462 Se\n0.239756 0.838607 0.830429 O\n0.760245 0.338607 0.669573 O\n0.760244 0.161393 0.169572 O\n0.239756 0.661393 0.330428 O\n0.394110 0.547179 0.753560 O\n0.829839 0.843263 0.095060 O\n0.170161 0.343263 0.404941 O\n0.605891 0.452822 0.246441 O\n0.829839 0.656737 0.595060 O\n0.170162 0.156737 0.904941 O\n0.605891 0.047179 0.746441 O\n0.394110 0.952822 0.253560 O\n",
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{
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"structure_string": "Tl2 Si1 F6\n1.0\n5.179175 -0.000000 2.990198\n1.726392 4.882973 2.990198\n0.000000 0.000000 5.980396\nTl Si F\n2 1 6\ndirect\n0.749999 0.750000 0.750002 Tl\n0.250000 0.250000 0.250001 Tl\n0.000000 0.000000 0.000000 Si\n0.203767 0.796232 0.796234 F\n0.203767 0.796232 0.203768 F\n0.796232 0.203767 0.796234 F\n0.796232 0.203767 0.203768 F\n0.796232 0.796232 0.203769 F\n0.203767 0.203767 0.796233 F\n",
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{
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"structure_string": "K2 Pd1 Br6\n1.0\n6.271853 -0.000000 3.621056\n2.090618 5.913160 3.621056\n-0.000000 -0.000000 7.242113\nK Pd Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750001 K\n0.000000 0.000000 0.000000 Pd\n0.755239 0.244761 0.244762 Br\n0.244761 0.755239 0.755239 Br\n0.244761 0.755239 0.244762 Br\n0.755239 0.244761 0.755239 Br\n0.244761 0.244761 0.755239 Br\n0.755239 0.755239 0.244762 Br\n",
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}
]
}