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{
"id": "jvasp-22147",
"created_at": "2022-09-04T14:38:16.775030Z",
"updated_at": "2022-09-04T14:38:16.775049Z",
"structure_string": "Rb2 Na1 Ho1 F6\n1.0\n5.410909 -0.000000 -3.101718\n-1.778010 5.110441 -3.101719\n-0.001483 -0.002086 6.267904\nRb Na Ho F\n2 1 1 6\ndirect\n0.250000 0.749999 0.499999 Rb\n0.750000 0.250000 0.499999 Rb\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 Ho\n0.743351 0.743350 0.486701 F\n0.256650 0.256649 0.513298 F\n0.773918 0.713308 -0.000000 F\n0.286692 0.773917 -0.000000 F\n0.226083 0.286692 -0.000000 F\n0.713308 0.226083 -0.000000 F\n",
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{
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"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.188625 -0.095403 0.868763\n-9.104659 4.574097 0.868763\n-0.032130 -0.132755 4.956593\nLi Mn Co O\n8 2 4 14\ndirect\n0.858222 0.141779 0.499999 Li\n0.286137 0.713864 0.499999 Li\n0.713864 0.286137 0.499999 Li\n0.141779 0.858221 0.499999 Li\n0.568415 0.431585 0.499999 Li\n-0.000000 -0.000001 0.500000 Li\n0.431585 0.568415 0.499999 Li\n0.500001 0.500001 -0.000001 Li\n0.928835 0.071167 -0.000001 Mn\n0.071167 0.928834 -0.000001 Mn\n0.214209 0.785792 -0.000001 Co\n0.642460 0.357542 -0.000001 Co\n0.357542 0.642459 -0.000001 Co\n0.785793 0.214209 -0.000001 Co\n0.221471 0.221471 0.768972 O\n0.613596 0.899194 0.221919 O\n0.046457 0.476156 0.216919 O\n0.476156 0.046457 0.216919 O\n0.899194 0.613596 0.221919 O\n0.321884 0.170379 0.226371 O\n0.778530 0.778530 0.231026 O\n0.170379 0.321884 0.226372 O\n0.100806 0.386404 0.778079 O\n0.523845 0.953544 0.783079 O\n0.953544 0.523845 0.783079 O\n0.386405 0.100806 0.778079 O\n0.829622 0.678117 0.773626 O\n0.678117 0.829622 0.773626 O\n",
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{
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"created_at": "2022-09-04T14:38:49.870345Z",
"updated_at": "2022-09-04T14:38:49.870361Z",
"structure_string": "Sr1 Se1 F2\n1.0\n3.421443 0.000000 0.000000\n0.000000 3.421443 0.000000\n0.000000 -0.000000 6.403044\nSr Se F\n1 1 2\ndirect\n0.500000 0.500000 0.497093 Sr\n0.000000 0.000000 0.922528 Se\n0.000000 0.000000 0.445457 F\n0.500000 0.500000 0.144921 F\n",
"nsites": 4,
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"elements": [
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{
"id": "jvasp-65711",
"created_at": "2022-09-04T14:35:44.967440Z",
"updated_at": "2022-09-04T14:35:44.967459Z",
"structure_string": "Ba1 Na2 Hg1\n1.0\n4.183490 -0.000000 -0.000000\n0.000000 4.183490 -0.000000\n0.000000 0.000000 8.036710\nBa Na Hg\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.685436 Na\n0.000000 0.000000 0.314564 Na\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
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{
"id": "jvasp-9359",
"created_at": "2022-09-04T14:37:19.949318Z",
"updated_at": "2022-09-04T14:37:19.949338Z",
"structure_string": "Ba1 Mg1 V4 O8\n1.0\n2.689369 -4.658124 -0.000000\n2.689369 4.658124 0.000000\n-0.000000 0.000000 7.214509\nBa Mg V O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333333 0.666667 0.741852 V\n0.666667 0.333333 0.741852 V\n0.333333 0.666667 0.258148 V\n0.666667 0.333333 0.258148 V\n0.683629 0.000000 0.675435 O\n0.000000 0.683629 0.675435 O\n0.316371 0.316371 0.675435 O\n0.316371 0.000000 0.324565 O\n0.683629 0.683629 0.324565 O\n0.000000 0.316371 0.324565 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
"id": "jvasp-85817",
"created_at": "2022-09-04T14:36:03.427448Z",
"updated_at": "2022-09-04T14:36:03.427464Z",
"structure_string": "Ti2 Mn2 O6\n1.0\n6.557426 2.191146 7.716611\n-0.971520 2.097064 2.269127\n-4.381289 -4.441730 -2.393624\nTi Mn O\n2 2 6\ndirect\n0.256677 0.295238 0.680233 Ti\n0.743324 0.704762 0.319767 Ti\n0.772476 0.727307 0.885968 Mn\n0.227525 0.272693 0.114033 Mn\n0.206903 0.610282 0.420619 O\n0.421893 0.925856 0.058720 O\n0.897149 0.354877 0.200556 O\n0.793098 0.389719 0.579382 O\n0.578108 0.074144 0.941281 O\n0.102852 0.645124 0.799445 O\n",
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"density": 4.532613828927082,
"density_atomic": 0.09050215894874936,
"volume": 110.494601633348,
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"formula_full": "Ti2 Mn2 O6",
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"formula_anonymous": "ABC3",
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"spacegroup": 12
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{
"id": "jvasp-116481",
"created_at": "2022-09-04T14:38:51.016990Z",
"updated_at": "2022-09-04T14:38:51.017011Z",
"structure_string": "Rb1 Hg3 N1 Cl8 O2\n1.0\n10.213231 0.017539 2.568568\n9.382160 4.035527 2.568568\n-0.433244 -0.089611 8.961030\nRb Hg N Cl O\n1 3 1 8 2\ndirect\n0.519719 0.519720 0.793517 Rb\n0.031245 0.031245 0.314972 Hg\n0.856530 0.856532 0.192170 Hg\n0.205300 0.205301 0.448228 Hg\n0.694843 0.694845 0.024360 N\n0.249815 0.249816 0.165670 Cl\n0.803991 0.803993 0.464673 Cl\n0.158918 0.158918 0.720181 Cl\n0.875570 0.875572 0.909652 Cl\n0.614713 0.614715 0.408804 Cl\n0.091552 0.091552 0.054193 Cl\n0.446462 0.446463 0.183539 Cl\n0.961909 0.961911 0.560692 Cl\n0.317881 0.317882 0.813079 O\n0.721842 0.721844 0.902673 O\n",
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"formula_full": "Rb1 Hg3 N1 Cl8 O2",
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{
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"created_at": "2022-09-04T14:38:42.867529Z",
"updated_at": "2022-09-04T14:38:42.867553Z",
"structure_string": "K2 Cu1 Bi1 I6\n1.0\n7.206382 0.000000 4.160606\n2.402127 6.794242 4.160606\n-0.000000 -0.000000 8.321213\nK Cu Bi I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Bi\n0.739003 0.260997 0.260998 I\n0.260997 0.260997 0.739003 I\n0.260998 0.739002 0.739003 I\n0.260998 0.739002 0.260998 I\n0.739003 0.260997 0.739003 I\n0.739003 0.739002 0.260998 I\n",
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{
"id": "jvasp-30186",
"created_at": "2022-09-04T14:38:06.233376Z",
"updated_at": "2022-09-04T14:38:06.233401Z",
"structure_string": "Ti2 Sn2 O6\n1.0\n7.429546 0.938195 0.637830\n5.085551 5.496866 0.637828\n5.085550 2.614910 4.876948\nTi Sn O\n2 2 6\ndirect\n0.329960 0.329960 0.329960 Ti\n0.670040 0.670040 0.670040 Ti\n0.107001 0.107001 0.107001 Sn\n0.892999 0.892998 0.893000 Sn\n0.052785 0.694543 0.408531 O\n0.408531 0.052785 0.694543 O\n0.305457 0.591470 0.947215 O\n0.694543 0.408530 0.052786 O\n0.591470 0.947214 0.305458 O\n0.947215 0.305456 0.591470 O\n",
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{
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"created_at": "2022-09-04T14:36:03.661623Z",
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"structure_string": "Ba1 Na2 Hg1\n1.0\n4.184438 0.000000 0.000000\n0.000000 4.182853 0.000000\n0.000000 0.000000 8.034539\nBa Na Hg\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.685452 Na\n0.000000 0.000000 0.314548 Na\n0.500000 0.500000 0.500000 Hg\n",
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{
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"created_at": "2022-09-04T14:36:20.617614Z",
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"structure_string": "Li1 Be1 Cd1\n1.0\n1.421857 -2.462728 0.000000\n1.421857 2.462728 -0.000000\n-0.000000 -0.000000 6.714227\nLi Be Cd\n1 1 1\ndirect\n0.333334 0.666668 0.687408 Li\n0.000000 0.000000 0.991616 Be\n0.666668 0.333334 0.320977 Cd\n",
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{
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