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{
"id": "jvasp-19035",
"created_at": "2022-09-04T14:38:13.020574Z",
"updated_at": "2022-09-04T14:38:13.020601Z",
"structure_string": "K4 Au4 Se20\n1.0\n7.882566 -0.000000 3.410835\n2.497020 9.398821 5.043163\n-0.060866 0.030702 10.954533\nK Au Se\n4 4 20\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.250000 0.881076 0.618924 Au\n0.250000 0.618924 0.881076 Au\n0.750000 0.381076 0.118924 Au\n0.750000 0.118924 0.381075 Au\n0.560504 0.778714 0.522598 Se\n0.439496 0.221285 0.477401 Se\n0.638183 0.278714 0.022598 Se\n0.938547 0.352424 0.647576 Se\n0.438547 0.147576 0.852423 Se\n0.561453 0.852424 0.147576 Se\n0.061453 0.647576 0.352424 Se\n0.842573 0.718155 0.053811 Se\n0.114540 0.781844 0.446189 Se\n0.657427 0.446189 0.781844 Se\n0.385460 0.053811 0.718155 Se\n0.157427 0.281844 0.946189 Se\n0.885460 0.218156 0.553811 Se\n0.060504 0.022599 0.278714 Se\n0.614540 0.946189 0.281844 Se\n0.138182 0.522598 0.778714 Se\n0.939496 0.977401 0.721285 Se\n0.361817 0.721285 0.977401 Se\n0.861818 0.477401 0.221285 Se\n0.342573 0.553811 0.218156 Se\n",
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{
"id": "jvasp-37738",
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"structure_string": "Li1 Al2 Tc1\n1.0\n0.000000 3.045240 3.045240\n3.045240 -0.000000 3.045240\n3.045240 3.045240 0.000000\nLi Al Tc\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Li\n0.500001 0.500001 0.500001 Al\n0.000000 0.000000 0.000000 Al\n0.749999 0.749999 0.749999 Tc\n",
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{
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"created_at": "2022-09-04T14:38:13.041043Z",
"updated_at": "2022-09-04T14:38:13.041071Z",
"structure_string": "Al4 Cu2 O8\n1.0\n2.776957 4.966405 -0.000000\n-3.047288 4.963454 0.000172\n2.689709 -1.503946 4.671635\nAl Cu O\n4 2 8\ndirect\n0.012338 0.975322 0.987661 Al\n0.237661 0.524677 0.262339 Al\n0.125000 0.250000 0.625000 Al\n0.625000 0.250000 0.625000 Al\n0.625000 0.750000 0.125000 Cu\n0.625000 0.750000 0.625000 Cu\n0.357748 0.789523 0.394763 O\n0.852728 0.789523 0.394763 O\n0.397272 0.710477 0.855238 O\n0.359609 0.280782 0.406296 O\n0.359609 0.280782 0.874487 O\n0.892251 0.710477 0.855238 O\n0.890392 0.219217 0.375514 O\n0.890392 0.219217 0.843705 O\n",
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"formula_full": "Al4 Cu2 O8",
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"spacegroup": 74
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{
"id": "jvasp-53296",
"created_at": "2022-09-04T14:38:13.048674Z",
"updated_at": "2022-09-04T14:38:13.048691Z",
"structure_string": "U4 V4 N8\n1.0\n0.000000 5.474393 0.000126\n3.162965 0.000000 0.000000\n0.000000 -0.000666 -10.679750\nU V N\n4 4 8\ndirect\n0.422401 0.000000 0.643927 U\n0.922397 0.000000 0.856072 U\n0.577597 0.500001 0.356073 U\n0.077601 0.500001 0.143928 U\n0.426366 0.500001 0.903223 V\n0.073636 0.000000 0.403223 V\n0.926363 0.500001 0.596777 V\n0.573632 0.000000 0.096777 V\n0.166758 0.500001 0.754027 N\n0.333242 0.000000 0.254026 N\n0.242588 0.500001 0.493253 N\n0.833241 0.000000 0.245973 N\n0.666757 0.500001 0.745974 N\n0.757410 0.000000 0.506747 N\n0.257411 0.000000 0.993254 N\n0.742587 0.500001 0.006746 N\n",
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"formula_full": "U4 V4 N8",
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{
"id": "jvasp-110025",
"created_at": "2022-09-04T14:38:13.049995Z",
"updated_at": "2022-09-04T14:38:13.050006Z",
"structure_string": "Pm1 Nd1 Mg2\n1.0\n4.711745 -0.000000 2.720328\n1.570582 4.442276 2.720328\n-0.000000 -0.000000 5.440655\nPm Nd Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500001 Nd\n0.750000 0.750001 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n",
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{
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"created_at": "2022-09-04T14:38:13.048089Z",
"updated_at": "2022-09-04T14:38:13.048118Z",
"structure_string": "Ba4 Cd1 Cu1\n1.0\n-0.000000 5.144214 5.144214\n5.144214 -0.000000 5.144214\n5.144214 5.144214 0.000000\nBa Cd Cu\n4 1 1\ndirect\n0.125111 0.624963 0.624963 Ba\n0.624963 0.624963 0.624963 Ba\n0.624963 0.125111 0.624963 Ba\n0.624963 0.624963 0.125111 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Cu\n",
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{
"id": "jvasp-11468",
"created_at": "2022-09-04T14:38:13.063253Z",
"updated_at": "2022-09-04T14:38:13.063272Z",
"structure_string": "Rb4 Ni6 Se8\n1.0\n5.963696 -0.000000 1.303720\n2.981848 5.319752 0.651860\n0.082255 0.000000 13.915658\nRb Ni Se\n4 6 8\ndirect\n0.298458 0.250000 0.403085 Rb\n0.701544 0.750000 0.596915 Rb\n0.548459 0.750000 0.903085 Rb\n0.451543 0.250000 0.096915 Rb\n0.625446 0.250000 0.749112 Ni\n0.875446 0.750000 0.249112 Ni\n0.125001 0.750000 0.750000 Ni\n0.124556 0.250000 0.750888 Ni\n0.374556 0.750000 0.250888 Ni\n0.875001 0.250000 0.250000 Ni\n0.236940 0.417276 0.863823 Se\n0.018039 0.082724 0.636177 Se\n0.899238 0.082724 0.863823 Se\n0.763062 0.582724 0.136177 Se\n0.981963 0.917276 0.363823 Se\n0.654216 0.582724 0.363823 Se\n0.100764 0.917276 0.136177 Se\n0.345785 0.417276 0.636177 Se\n",
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"volume": 440.9091129690348,
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"formula_full": "Rb4 Ni6 Se8",
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{
"id": "jvasp-76954",
"created_at": "2022-09-04T14:38:13.081800Z",
"updated_at": "2022-09-04T14:38:13.081810Z",
"structure_string": "Ca1 Sc1 Hg2\n1.0\n-11.992578 2.822820 -2.314273\n-8.789672 0.578163 0.987239\n-7.312284 4.756848 -1.571672\nCa Sc Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.000001 0.000000 Sc\n0.749943 0.000029 0.000028 Hg\n0.250056 -0.000028 -0.000028 Hg\n",
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{
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"updated_at": "2022-09-04T14:38:13.086337Z",
"structure_string": "Dy1 Ni2 Ge2\n1.0\n3.796446 -0.000000 -1.450720\n-0.554358 3.755754 -1.450720\n-0.007567 -0.008767 5.673089\nDy Ni Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.750000 0.249999 0.500000 Ni\n0.249999 0.749999 0.500000 Ni\n0.628427 0.628426 0.256854 Ge\n0.371572 0.371572 0.743146 Ge\n",
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{
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"structure_string": "V4 O8 F4\n1.0\n4.907991 0.000000 0.000000\n0.000000 5.115468 0.000000\n0.000000 0.000000 8.524639\nV O F\n4 8 4\ndirect\n0.131752 0.624011 0.126137 V\n0.368248 0.375989 0.626137 V\n0.631752 0.875989 0.873864 V\n0.868247 0.124011 0.373863 V\n0.063481 0.864815 0.257785 O\n0.922248 0.649692 0.973197 O\n0.577751 0.350308 0.473197 O\n0.436519 0.135186 0.757785 O\n0.563481 0.635186 0.742215 O\n0.422249 0.850309 0.026803 O\n0.077751 0.149692 0.526803 O\n0.936519 0.364815 0.242215 O\n0.099675 0.614028 0.616652 F\n0.400325 0.385972 0.116652 F\n0.599675 0.885973 0.383348 F\n0.900325 0.114028 0.883348 F\n",
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{
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"structure_string": "Mn3 Ir1 N1\n1.0\n3.762562 -0.000000 0.000000\n-0.000000 3.762562 0.000000\n0.000000 0.000000 3.762562\nMn Ir N\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 N\n",
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{
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"structure_string": "K2 Co2 O4\n1.0\n4.850819 0.117327 -2.257453\n-2.910362 4.412784 -0.834880\n0.077355 -0.117235 5.349796\nK Co O\n2 2 4\ndirect\n0.500002 0.250001 0.750002 K\n0.000002 0.500000 0.500001 K\n0.499998 0.749997 0.250001 Co\n0.000002 0.000001 0.000000 Co\n0.863969 0.839488 0.228792 O\n0.136036 0.364826 0.975522 O\n0.389303 0.024481 0.160513 O\n0.610697 0.771210 0.635178 O\n",
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}
]
}