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{
"id": "jvasp-10128",
"created_at": "2022-09-04T14:38:09.596042Z",
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"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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{
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"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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{
"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",
"nsites": 10,
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"elements": [
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"density": 8.738128174448182,
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"volume_molar": 9.764219323310964,
"formula_full": "Fe2 Pd4 Se4",
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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",
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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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{
"id": "jvasp-101263",
"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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"formula_full": "W2 O4 F4",
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"spacegroup": 63
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{
"id": "jvasp-101260",
"created_at": "2022-09-04T14:36:46.985386Z",
"updated_at": "2022-09-04T14:36:46.985406Z",
"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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"volume": 63.408119974907535,
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"formula_full": "Mn2 O4",
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"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"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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"volume": 333.67485422836006,
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{
"id": "jvasp-101259",
"created_at": "2022-09-04T14:36:46.660890Z",
"updated_at": "2022-09-04T14:36:46.660917Z",
"structure_string": "Na2 Mn2 O4\n1.0\n4.398890 0.002517 -0.000337\n2.197436 4.327236 2.198467\n0.000387 0.000736 4.398490\nNa Mn O\n2 2 4\ndirect\n0.376677 0.748861 0.624296 Na\n0.626692 0.248904 0.374257 Na\n0.126732 0.248874 0.874226 Mn\n0.876645 0.748876 0.124260 Mn\n0.906221 0.689781 0.653916 O\n0.656211 0.189776 0.903827 O\n0.347188 0.807973 0.094747 O\n0.097156 0.307969 0.344859 O\n",
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{
"id": "jvasp-101258",
"created_at": "2022-09-04T14:36:46.902681Z",
"updated_at": "2022-09-04T14:36:46.902704Z",
"structure_string": "Li1 V1 F6\n1.0\n4.713594 -0.363279 2.140344\n1.988236 4.289156 2.140344\n0.427385 0.250358 4.994001\nLi V F\n1 1 6\ndirect\n0.518597 0.518598 0.483595 Li\n0.018606 0.018607 0.983611 V\n0.196127 0.722813 0.804537 F\n0.250959 0.250960 0.628586 F\n0.314452 0.841042 0.162633 F\n0.722811 0.196127 0.804537 F\n0.786275 0.786276 0.338701 F\n0.841040 0.314452 0.162633 F\n",
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{
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"created_at": "2022-09-04T14:36:31.204534Z",
"updated_at": "2022-09-04T14:36:31.204562Z",
"structure_string": "La1 Co1 O3\n1.0\n3.828976 0.000000 0.000000\n0.000000 3.828976 0.000000\n0.000000 0.000000 3.828976\nLa Co O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n0.000000 0.000000 0.500000 O\n",
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},
{
"id": "jvasp-101255",
"created_at": "2022-09-04T14:36:46.215743Z",
"updated_at": "2022-09-04T14:36:46.215777Z",
"structure_string": "Fe2 Bi2 O6\n1.0\n3.837109 0.001053 0.000000\n-0.001050 3.837109 0.000000\n-0.000000 0.000000 7.673432\nFe Bi O\n2 2 6\ndirect\n0.499993 0.499992 0.750000 Fe\n0.500008 0.500007 0.250000 Fe\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.500021 -0.000011 0.750000 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 O\n0.499979 0.000010 0.250000 O\n0.000011 0.499979 0.250000 O\n-0.000011 0.500021 0.750000 O\n",
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}
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}