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{
"id": "jvasp-10126",
"created_at": "2022-09-04T14:38:12.782973Z",
"updated_at": "2022-09-04T14:38:12.782989Z",
"structure_string": "Rb4 Se6\n1.0\n6.709561 -0.047393 0.000000\n-2.143636 6.358088 -0.000000\n0.000000 -0.000000 7.840402\nRb Se\n4 6\ndirect\n0.419487 0.580513 0.827649 Rb\n0.580513 0.419488 0.327650 Rb\n0.902710 0.097291 0.548025 Rb\n0.097290 0.902710 0.048026 Rb\n0.405892 0.081975 0.676027 Se\n0.594108 0.918026 0.176027 Se\n0.918025 0.594109 0.676027 Se\n0.081974 0.405892 0.176027 Se\n0.788222 0.211779 -0.004730 Se\n0.211778 0.788222 0.495270 Se\n",
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{
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"structure_string": "Mn2 O4\n1.0\n2.684107 -0.095670 8.592417\n1.231093 2.387048 8.592417\n-0.163468 -0.095670 9.000408\nMn O\n2 4\ndirect\n0.499999 0.500000 0.500001 Mn\n0.000000 0.000000 0.000000 Mn\n0.630700 0.630702 0.630702 O\n0.202622 0.202622 0.202623 O\n0.797377 0.797378 0.797379 O\n0.369298 0.369299 0.369299 O\n",
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{
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"created_at": "2022-09-04T14:36:47.797179Z",
"updated_at": "2022-09-04T14:36:47.797200Z",
"structure_string": "W2 O4 F4\n1.0\n3.881501 0.011395 0.000000\n0.003784 3.881515 0.000000\n0.000000 0.000000 8.508674\nW O F\n2 4 4\ndirect\n0.307559 0.307560 0.250000 W\n0.692440 0.692443 0.750000 W\n0.731226 0.233087 0.750000 O\n0.766914 0.268775 0.250000 O\n0.233085 0.731228 0.750000 O\n0.268773 0.766916 0.250000 O\n0.246640 0.246641 0.032032 F\n0.246640 0.246641 0.467968 F\n0.753358 0.753361 0.532031 F\n0.753358 0.753361 0.967968 F\n",
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"elements": [
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"density_atomic": 0.07800786417397577,
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"formula_full": "W2 O4 F4",
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"spacegroup": 63
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{
"id": "jvasp-101264",
"created_at": "2022-09-04T14:36:40.495912Z",
"updated_at": "2022-09-04T14:36:40.495925Z",
"structure_string": "K4 Sb2 Au2\n1.0\n6.516438 0.012822 0.000000\n-1.808809 6.260378 0.000000\n-0.000000 -0.000000 6.549123\nK Sb Au\n4 2 2\ndirect\n0.840586 0.496938 0.750000 K\n0.503062 0.159414 0.250000 K\n0.496938 0.840586 0.750000 K\n0.159414 0.503062 0.250000 K\n0.726688 0.726688 0.250000 Sb\n0.273312 0.273312 0.750000 Sb\n0.000000 0.000000 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
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"elements": [
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"density": 4.93111057962192,
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"formula_full": "K4 Sb2 Au2",
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},
{
"id": "jvasp-101267",
"created_at": "2022-09-04T14:36:41.635216Z",
"updated_at": "2022-09-04T14:36:41.635249Z",
"structure_string": "Hg2\n1.0\n3.498247 0.027594 0.000000\n-1.779607 3.011891 -0.000000\n-0.000000 -0.000000 5.584214\nHg\n2\ndirect\n0.833599 0.166400 0.749999 Hg\n0.166400 0.833598 0.250000 Hg\n",
"nsites": 2,
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"elements": [
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"density": 11.26982553878714,
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{
"id": "jvasp-101273",
"created_at": "2022-09-04T14:38:18.010529Z",
"updated_at": "2022-09-04T14:38:18.010549Z",
"structure_string": "Fe2 Pd4 Se4\n1.0\n4.718325 -0.000000 -1.973686\n-1.126615 5.180889 -2.693303\n-0.003627 0.026614 6.618024\nFe Pd Se\n2 4 4\ndirect\n0.750001 0.000000 -0.000000 Fe\n0.250000 0.000000 -0.000000 Fe\n0.888544 0.270514 0.777087 Pd\n0.111457 0.729486 0.222913 Pd\n0.611457 0.493426 0.222912 Pd\n0.388544 0.506573 0.777087 Pd\n0.643689 0.943256 0.287375 Se\n0.356313 0.056744 0.712625 Se\n0.143687 0.344118 0.287374 Se\n0.856314 0.655881 0.712625 Se\n",
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"volume": 162.13867646811636,
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"formula_full": "Fe2 Pd4 Se4",
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{
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"created_at": "2022-09-04T14:38:13.897698Z",
"updated_at": "2022-09-04T14:38:13.897720Z",
"structure_string": "Zn12 Si4 Ni8\n1.0\n6.589235 -0.000000 3.804296\n2.196412 6.212391 3.804296\n-0.000000 -0.000000 7.608594\nZn Si Ni\n12 4 8\ndirect\n0.939647 0.310354 0.939646 Zn\n0.939647 0.939646 0.310354 Zn\n0.310354 0.310354 0.939646 Zn\n0.060354 0.689646 0.689646 Zn\n0.310354 0.939646 0.939646 Zn\n0.689647 0.060354 0.689646 Zn\n0.689647 0.689646 0.060354 Zn\n0.060354 0.060354 0.689646 Zn\n0.060354 0.689646 0.060354 Zn\n0.310354 0.939646 0.310354 Zn\n0.939647 0.310354 0.310354 Zn\n0.689647 0.060354 0.060354 Zn\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n-0.000000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n0.288251 0.288251 0.635249 Ni\n0.635249 0.288251 0.288251 Ni\n0.288251 0.288251 0.288251 Ni\n0.364751 0.711749 0.711749 Ni\n0.288251 0.635249 0.288251 Ni\n0.711749 0.711749 0.364752 Ni\n0.711749 0.364751 0.711749 Ni\n0.711749 0.711749 0.711749 Ni\n",
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"formula_full": "Zn12 Si4 Ni8",
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"formula_anonymous": "AB2C3",
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"spacegroup": 227
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{
"id": "jvasp-10128",
"created_at": "2022-09-04T14:38:09.596042Z",
"updated_at": "2022-09-04T14:38:09.596069Z",
"structure_string": "Sn4 F8\n1.0\n4.671266 0.000000 0.000000\n0.000000 5.386055 0.000000\n0.000000 0.000000 8.231625\nSn F\n4 8\ndirect\n0.288817 0.006751 0.621756 Sn\n0.788818 0.493249 0.378244 Sn\n0.711184 0.506750 0.878243 Sn\n0.211183 0.993249 0.121756 Sn\n0.073462 0.787345 0.805859 F\n0.573462 0.712654 0.194140 F\n0.926539 0.287345 0.694140 F\n0.426538 0.212654 0.305860 F\n0.541887 0.106747 0.955947 F\n0.041887 0.393253 0.044052 F\n0.458113 0.606746 0.544052 F\n0.958114 0.893252 0.455947 F\n",
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"density": 5.025809107476545,
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"volume": 207.10517925737778,
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"formula_full": "Sn4 F8",
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"spacegroup": 19
},
{
"id": "jvasp-101280",
"created_at": "2022-09-04T14:38:17.040334Z",
"updated_at": "2022-09-04T14:38:17.040344Z",
"structure_string": "Pb4 Se4 O16\n1.0\n7.020790 0.002585 0.000000\n-1.639631 7.006080 0.000000\n0.000000 0.000000 7.463274\nPb Se O\n4 4 16\ndirect\n0.402604 0.218287 0.148311 Pb\n0.597396 0.781714 0.851689 Pb\n0.902604 0.718287 0.351689 Pb\n0.097396 0.281714 0.648311 Pb\n0.880571 0.196195 0.163859 Se\n0.619430 0.303806 0.663859 Se\n0.119430 0.803806 0.836141 Se\n0.380571 0.696194 0.336141 Se\n0.484223 0.617587 0.156803 O\n0.015777 0.882414 0.656803 O\n0.515777 0.382414 0.843196 O\n0.984223 0.117587 0.343197 O\n0.285290 0.884279 0.293141 O\n0.449720 0.262167 0.503155 O\n0.050280 0.237833 0.003155 O\n0.680667 0.026018 0.109621 O\n0.819333 0.473983 0.609621 O\n0.319333 0.973983 0.890379 O\n0.180667 0.526018 0.390379 O\n0.785290 0.384279 0.206859 O\n0.714710 0.115722 0.706858 O\n0.214710 0.615722 0.793141 O\n0.949720 0.762168 0.996844 O\n0.550280 0.737833 0.496845 O\n",
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{
"id": "jvasp-101281",
"created_at": "2022-09-04T14:37:46.764139Z",
"updated_at": "2022-09-04T14:37:46.764152Z",
"structure_string": "Ce1 Ge2 Ru2\n1.0\n3.986285 0.000000 -1.558698\n-0.609475 3.939418 -1.558698\n-0.019875 -0.023186 5.825873\nCe Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.630085 0.630084 0.260167 Ge\n0.369916 0.369916 0.739832 Ge\n0.750000 0.250000 0.499999 Ru\n0.250001 0.750000 0.500000 Ru\n",
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{
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"created_at": "2022-09-04T14:38:15.556828Z",
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"structure_string": "Sn14 Ru6\n1.0\n7.747744 -0.000000 -2.739242\n-3.873872 6.709743 -2.739242\n-0.000000 -0.000000 8.217724\nSn Ru\n14 6\ndirect\n0.500000 0.250000 0.750000 Sn\n0.000000 0.000000 0.678011 Sn\n0.000000 0.678011 0.000000 Sn\n0.000000 0.000000 0.321988 Sn\n0.000000 0.321988 0.000000 Sn\n0.321988 0.000000 0.000000 Sn\n0.321988 0.321988 0.321988 Sn\n0.250000 0.500000 0.750000 Sn\n0.750000 0.500000 0.250000 Sn\n0.678011 0.678011 0.678012 Sn\n0.500000 0.750000 0.250000 Sn\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.678011 0.000000 0.000000 Sn\n0.000000 0.655045 0.655045 Ru\n0.344955 0.344955 0.000000 Ru\n0.655045 0.655045 0.000000 Ru\n0.655045 0.000000 0.655045 Ru\n0.344955 0.000000 0.344955 Ru\n0.000000 0.344955 0.344955 Ru\n",
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{
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"created_at": "2022-09-04T14:38:15.564837Z",
"updated_at": "2022-09-04T14:38:15.564865Z",
"structure_string": "Ba1 Ge3 Pt1\n1.0\n4.304191 -0.000000 -1.752943\n-0.713912 4.244572 -1.752943\n-0.011938 -0.014113 6.131432\nBa Ge Pt\n1 3 1\ndirect\n0.000527 0.000527 0.001054 Ba\n0.753659 0.253659 0.507317 Ge\n0.253659 0.753659 0.507317 Ge\n0.399846 0.399847 0.799693 Ge\n0.648010 0.648010 0.296021 Pt\n",
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}