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{
"id": "jvasp-111577",
"created_at": "2022-09-04T14:38:41.118231Z",
"updated_at": "2022-09-04T14:38:41.118259Z",
"structure_string": "Mn4 F8\n1.0\n5.232171 -0.000006 0.000208\n-0.000021 5.232026 0.000133\n0.000363 0.000579 5.200528\nMn F\n4 8\ndirect\n0.500033 0.500058 -0.000006 Mn\n0.000004 0.000008 0.000004 Mn\n-0.000009 0.499977 0.500004 Mn\n0.499987 0.000002 0.500005 Mn\n0.279930 0.720134 0.744503 F\n0.720072 0.279890 0.744537 F\n0.779823 0.779774 0.745242 F\n0.220195 0.220246 0.745155 F\n0.720059 0.720110 0.255532 F\n0.779806 0.220223 0.254820 F\n0.220185 0.779730 0.254786 F\n0.279912 0.279848 0.255420 F\n",
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{
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"structure_string": "Mn1 F1\n1.0\n2.724284 -0.184106 -0.487046\n-1.524737 -2.286519 -0.056971\n1.088181 -1.473246 -4.220012\nMn F\n1 1\ndirect\n0.145274 0.820509 0.064209 Mn\n0.645420 0.320644 0.564193 F\n",
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{
"id": "jvasp-48955",
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"structure_string": "Mn2 F8\n1.0\n0.000000 2.934986 -0.009952\n8.959558 0.000000 0.000000\n0.000000 -0.017343 -4.574636\nMn F\n2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000001 0.500000 0.500000 Mn\n-0.000110 0.130542 0.711943 F\n-0.000111 0.369458 0.211943 F\n0.499900 0.899481 0.824728 F\n0.500103 0.399481 0.675273 F\n0.499899 0.600519 0.324728 F\n0.500103 0.100519 0.175272 F\n0.000112 0.630542 0.788058 F\n0.000111 0.869458 0.288057 F\n",
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"formula_full": "Mn2 F8",
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"spacegroup": 55
},
{
"id": "jvasp-22619",
"created_at": "2022-09-04T14:38:14.634227Z",
"updated_at": "2022-09-04T14:38:14.634262Z",
"structure_string": "Mn2 F4\n1.0\n2.765358 0.000000 0.000000\n0.000000 4.811846 0.000000\n0.000000 -0.000000 4.811846\nMn F\n2 4\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.710789 0.710789 F\n0.500000 0.789213 0.210788 F\n0.000000 0.289212 0.289212 F\n0.500000 0.210788 0.789213 F\n",
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"formula_full": "Mn2 F4",
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"spacegroup": 136
},
{
"id": "jvasp-9464",
"created_at": "2022-09-04T14:38:11.848486Z",
"updated_at": "2022-09-04T14:38:11.848508Z",
"structure_string": "Mn2 F8\n1.0\n-5.343144 -0.129415 -0.036884\n0.101269 -4.462255 0.952351\n2.608482 1.118756 4.679772\nMn F\n2 8\ndirect\n0.500516 -0.000289 0.001249 Mn\n0.000520 0.499717 0.001257 Mn\n0.176582 0.748289 0.853668 F\n0.656861 0.803856 0.314718 F\n0.824447 0.251136 0.148830 F\n0.324094 0.251432 0.148855 F\n0.344171 0.195588 0.687796 F\n-0.156416 0.298014 0.686568 F\n0.676949 0.748020 0.853640 F\n0.157442 0.701412 0.315953 F\n",
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"volume": 116.57651493227425,
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"formula_full": "Mn2 F8",
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"spacegroup": 64
},
{
"id": "jvasp-48875",
"created_at": "2022-09-04T14:36:13.007746Z",
"updated_at": "2022-09-04T14:36:13.007775Z",
"structure_string": "Mn2 F6\n1.0\n3.849872 0.000025 0.000179\n-0.000050 5.352771 0.000707\n-0.000289 -0.000758 5.360867\nMn F\n2 6\ndirect\n0.992638 0.999641 0.003307 Mn\n0.992642 0.499663 0.503310 Mn\n0.492640 0.999604 0.003226 F\n0.992646 0.796734 0.300303 F\n0.992633 0.702565 0.800306 F\n0.492635 0.499678 0.503234 F\n0.992626 0.296690 0.206339 F\n0.992636 0.202607 0.706336 F\n",
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"volume": 110.47397896157912,
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"formula_full": "Mn2 F6",
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"formula_anonymous": "AB3",
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"spacegroup": 127
},
{
"id": "jvasp-25907",
"created_at": "2022-09-04T14:38:30.538405Z",
"updated_at": "2022-09-04T14:38:30.538434Z",
"structure_string": "Mn6 F18\n1.0\n5.172652 0.000000 0.000000\n-2.586326 4.479155 0.001138\n0.000000 -0.001441 13.433134\nMn F\n6 18\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.666652 0.333330 0.333329 Mn\n0.333322 0.666671 0.166671 Mn\n0.333348 0.666671 0.666671 Mn\n0.666677 0.333330 0.833329 Mn\n0.333376 0.263072 0.416681 F\n0.070304 0.736929 0.083319 F\n0.666624 0.736929 0.583319 F\n0.929696 0.263072 0.916680 F\n0.666732 0.929778 0.083357 F\n0.736956 0.070224 0.416643 F\n0.333268 0.070224 0.916643 F\n0.263044 0.929778 0.583357 F\n-0.000101 0.403535 0.249976 F\n0.403635 0.403535 0.749976 F\n0.403465 0.000000 0.250000 F\n0.596364 0.596466 0.250024 F\n0.263161 0.333377 0.083330 F\n0.929785 0.666624 0.416670 F\n0.736838 0.666624 0.916670 F\n0.070215 0.333377 0.583329 F\n0.000100 0.596466 0.750024 F\n0.596535 0.000000 0.750000 F\n",
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"formula_full": "Mn6 F18",
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"spacegroup": 167
},
{
"id": "jvasp-119590",
"created_at": "2022-09-04T14:38:35.880433Z",
"updated_at": "2022-09-04T14:38:35.880465Z",
"structure_string": "Mn4 F12\n1.0\n7.455052 -0.000000 0.000000\n0.000000 5.168489 0.000254\n-0.000000 -0.000106 5.369926\nMn F\n4 12\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.250000 0.095183 0.982979 F\n0.547161 0.298362 0.205290 F\n0.952838 0.298362 0.205290 F\n0.047258 0.798364 0.294703 F\n0.452742 0.798364 0.294703 F\n0.750000 0.595283 0.516854 F\n0.250000 0.404716 0.483146 F\n0.547258 0.201635 0.705297 F\n0.952742 0.201635 0.705297 F\n0.047161 0.701638 0.794710 F\n0.452839 0.701638 0.794710 F\n0.750000 0.904816 0.017021 F\n",
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"elements": [
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"density": 3.593235201444685,
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"volume": 206.91052123752323,
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"formula_full": "Mn4 F12",
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},
{
"id": "jvasp-118737",
"created_at": "2022-09-04T14:38:52.881942Z",
"updated_at": "2022-09-04T14:38:52.881973Z",
"structure_string": "Mn1 F2\n1.0\n2.993578 0.000000 0.000000\n0.000000 2.425902 0.000000\n0.000000 0.000000 4.479256\nMn F\n1 2\ndirect\n0.466673 0.000000 0.000000 Mn\n-0.033336 0.000000 0.253147 F\n-0.033336 0.000000 0.746855 F\n",
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"elements": [
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},
{
"id": "jvasp-116337",
"created_at": "2022-09-04T14:38:50.579879Z",
"updated_at": "2022-09-04T14:38:50.579900Z",
"structure_string": "Mn1 F3\n1.0\n3.792050 0.114916 -0.538043\n0.217032 -2.936050 0.242208\n1.306798 -2.262745 -4.232863\nMn F\n1 3\ndirect\n0.411718 0.100903 0.897731 Mn\n0.911698 0.100931 0.897747 F\n0.553989 -0.225376 0.597893 F\n0.269340 0.427229 0.197580 F\n",
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},
{
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"created_at": "2022-09-04T14:38:51.427544Z",
"updated_at": "2022-09-04T14:38:51.427562Z",
"structure_string": "Mn1 F2\n1.0\n7.007305 -0.000000 -0.000000\n0.000000 7.007305 -0.000000\n-0.000000 -0.000000 8.564757\nMn F\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.208858 F\n0.000000 0.000000 0.791142 F\n",
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{
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"created_at": "2022-09-04T14:38:53.607990Z",
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"structure_string": "Mn1 F1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nMn F\n1 1\ndirect\n0.000000 0.000000 0.835383 Mn\n0.000000 0.000000 0.164616 F\n",
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}