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{
"id": "jvasp-38188",
"created_at": "2022-09-04T14:38:00.455109Z",
"updated_at": "2022-09-04T14:38:00.455137Z",
"structure_string": "Mn2 Cu6\n1.0\n2.611045 -4.522464 -0.000000\n2.611045 4.522464 0.000000\n-0.000000 -0.000000 4.265867\nMn Cu\n2 6\ndirect\n0.666668 0.333334 0.250000 Mn\n0.333334 0.666668 0.750001 Mn\n0.331164 0.165582 0.750001 Cu\n0.834419 0.668838 0.750001 Cu\n0.668838 0.834419 0.250000 Cu\n0.165583 0.834419 0.250000 Cu\n0.165582 0.331164 0.250000 Cu\n0.834419 0.165583 0.750001 Cu\n",
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{
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"structure_string": "Mn4 F8\n1.0\n5.232172 -0.000014 0.000283\n-0.000013 5.232027 0.000355\n0.000290 0.000359 5.200528\nMn F\n4 8\ndirect\n0.500033 0.500059 -0.000006 Mn\n0.000004 0.000008 0.000004 Mn\n-0.000008 0.499977 0.500005 Mn\n0.499987 0.000003 0.500005 Mn\n0.279931 0.720134 0.744504 F\n0.720072 0.279892 0.744537 F\n0.779824 0.779775 0.745242 F\n0.220195 0.220246 0.745154 F\n0.720059 0.720111 0.255532 F\n0.779806 0.220224 0.254820 F\n0.220185 0.779731 0.254787 F\n0.279912 0.279849 0.255420 F\n",
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{
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"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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},
{
"id": "jvasp-48955",
"created_at": "2022-09-04T14:36:22.285111Z",
"updated_at": "2022-09-04T14:36:22.285131Z",
"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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"elements": [
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"density": 3.614672995035424,
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"volume": 120.29698571915873,
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},
{
"id": "jvasp-117431",
"created_at": "2022-09-04T14:38:27.429893Z",
"updated_at": "2022-09-04T14:38:27.429909Z",
"structure_string": "Mn4 F14\n1.0\n5.084632 -0.109924 1.227543\n0.086646 5.552387 1.846779\n-0.116382 -0.214393 8.425604\nMn F\n4 14\ndirect\n0.288961 0.043256 0.172857 Mn\n0.779368 0.791134 0.312105 Mn\n0.220632 0.208867 0.687893 Mn\n0.711040 0.956746 0.827142 Mn\n0.075871 0.888664 0.754261 F\n0.869358 0.257466 0.798248 F\n0.317353 0.494803 0.666138 F\n0.864847 0.732034 0.507755 F\n0.553512 0.102667 0.619145 F\n0.446488 0.897335 0.380854 F\n0.682648 0.505199 0.333861 F\n0.332524 0.096070 0.908598 F\n0.130643 0.742536 0.201751 F\n0.924129 0.111338 0.245737 F\n0.667476 0.903931 0.091401 F\n0.404727 0.325815 0.140003 F\n0.135154 0.267967 0.492244 F\n0.595274 0.674187 0.859995 F\n",
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{
"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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"spacegroup": 136
},
{
"id": "jvasp-30292",
"created_at": "2022-09-04T14:37:58.384108Z",
"updated_at": "2022-09-04T14:37:58.384117Z",
"structure_string": "Mn2 F6\n1.0\n2.517028 4.360647 0.000244\n-2.517028 4.360647 -0.000244\n0.004463 0.000000 4.518312\nMn F\n2 6\ndirect\n0.666677 0.666700 0.499997 Mn\n0.333301 0.333324 0.499997 Mn\n0.636862 0.999788 0.277306 F\n0.000213 0.363139 0.277306 F\n0.363573 0.636428 0.277462 F\n0.636406 0.363595 0.722533 F\n0.999765 0.636884 0.722688 F\n0.363117 0.000236 0.722688 F\n",
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"formula_full": "Mn2 F6",
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"spacegroup": 162
},
{
"id": "jvasp-102840",
"created_at": "2022-09-04T14:36:49.808101Z",
"updated_at": "2022-09-04T14:36:49.808113Z",
"structure_string": "Mn2 F8\n1.0\n4.543171 0.000000 0.000000\n-0.000000 4.721275 2.481773\n-0.000000 0.159446 5.449045\nMn F\n2 8\ndirect\n0.500000 0.500000 -0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.749833 0.174517 0.150220 F\n0.750167 0.674516 0.150220 F\n0.298590 0.342194 0.314801 F\n0.201410 0.842193 0.314801 F\n0.798590 0.157807 0.685197 F\n0.701410 0.657806 0.685197 F\n0.249833 0.325484 0.849778 F\n0.250167 0.825483 0.849778 F\n",
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"formula_full": "Mn2 F8",
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"spacegroup": 64
},
{
"id": "jvasp-22515",
"created_at": "2022-09-04T14:37:40.350278Z",
"updated_at": "2022-09-04T14:37:40.350307Z",
"structure_string": "Mn4 F8\n1.0\n4.705491 -0.000000 0.000000\n-0.000000 4.744235 0.000000\n0.000000 0.000000 5.592879\nMn F\n4 8\ndirect\n0.500000 0.750001 0.374803 Mn\n0.000000 0.250000 0.125197 Mn\n0.500000 0.250000 0.625197 Mn\n0.000000 0.750001 0.874803 Mn\n0.755151 0.084447 0.374072 F\n0.255151 0.915554 0.125928 F\n0.744849 0.584447 0.125928 F\n0.244849 0.415554 0.374072 F\n0.755151 0.584447 0.625929 F\n0.255151 0.415554 0.874072 F\n0.744849 0.084447 0.874072 F\n0.244849 0.915554 0.625929 F\n",
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},
{
"id": "jvasp-30290",
"created_at": "2022-09-04T14:37:50.389321Z",
"updated_at": "2022-09-04T14:37:50.389347Z",
"structure_string": "Mn4 F14\n1.0\n5.264387 0.712750 -0.213672\n2.304048 4.786769 0.213672\n-1.154262 1.588495 9.479190\nMn F\n4 14\ndirect\n0.231742 0.326110 0.419470 Mn\n0.326110 0.231741 0.080530 Mn\n0.673891 0.768258 0.919470 Mn\n0.768260 0.673889 0.580530 Mn\n0.940841 0.329932 0.973568 F\n0.535083 0.804817 0.092416 F\n0.645373 0.209487 0.171220 F\n0.790514 0.354627 0.671220 F\n0.670068 0.059160 0.473568 F\n0.329934 0.940839 0.526432 F\n0.354629 0.790512 0.828780 F\n0.797905 0.797903 0.750000 F\n0.464919 0.195182 0.907584 F\n0.059161 0.670067 0.026432 F\n0.202096 0.202096 0.250000 F\n0.195184 0.464917 0.592416 F\n0.209488 0.645372 0.328780 F\n0.804818 0.535082 0.407584 F\n",
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"formula_full": "Mn4 F14",
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},
{
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"created_at": "2022-09-04T14:38:35.880433Z",
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"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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{
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"created_at": "2022-09-04T14:38:40.886507Z",
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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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}