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{
"id": "jvasp-43812",
"created_at": "2022-09-04T14:36:00.842979Z",
"updated_at": "2022-09-04T14:36:00.842999Z",
"structure_string": "Li1 Mn1 Co3 O8\n1.0\n5.727194 -0.056329 0.007768\n-0.053534 5.653538 0.046388\n2.689476 2.833968 4.086913\nLi Mn Co O\n1 1 3 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Co\n0.000001 0.500000 0.500000 Co\n0.000001 0.000000 0.500000 Co\n0.206197 0.737924 0.029471 O\n0.200111 0.237248 0.037136 O\n0.200019 0.736995 0.536977 O\n0.206198 0.235668 0.531728 O\n0.793803 0.764333 0.468272 O\n0.799981 0.263006 0.463024 O\n0.799889 0.762753 0.962864 O\n0.793803 0.262076 0.970529 O\n",
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{
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"structure_string": "Nb5 As4 Pd4\n1.0\n3.710624 0.000000 0.951189\n1.855312 7.502725 0.475594\n-0.007715 -0.000000 7.743332\nNb As Pd\n5 4 4\ndirect\n0.382884 0.305705 0.928528 Nb\n0.617116 0.694294 0.071471 Nb\n0.000000 0.000000 0.000000 Nb\n0.688588 0.928528 0.694294 Nb\n0.311412 0.071471 0.305705 Nb\n0.932239 0.823932 0.311587 As\n0.067761 0.176067 0.688412 As\n0.243828 0.688412 0.823932 As\n0.756172 0.311587 0.176067 As\n0.596151 0.293354 0.514344 Pd\n0.110495 0.485655 0.293354 Pd\n0.403849 0.706646 0.485655 Pd\n0.889505 0.514344 0.706646 Pd\n",
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{
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"updated_at": "2022-09-04T14:36:07.026142Z",
"structure_string": "Na2 Pd1 Se2 O8\n1.0\n4.998614 0.005710 0.315147\n1.885811 5.449008 1.719536\n-0.031608 0.063921 7.216021\nNa Pd Se O\n2 1 2 8\ndirect\n0.798757 0.262149 0.808977 Na\n0.201242 0.737851 0.191024 Na\n0.499999 -0.000000 0.500000 Pd\n0.120796 0.678646 0.719060 Se\n0.879202 0.321354 0.280941 Se\n0.262346 0.785777 0.500980 O\n0.793588 0.683515 0.654577 O\n0.292096 0.385416 0.823486 O\n0.206411 0.316485 0.345424 O\n0.104086 0.858036 0.856820 O\n0.895912 0.141964 0.143181 O\n0.737652 0.214223 0.499021 O\n0.707902 0.614584 0.176515 O\n",
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"density_atomic": 0.06632276849258795,
"volume": 196.01111798360535,
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{
"id": "jvasp-88863",
"created_at": "2022-09-04T14:36:00.535779Z",
"updated_at": "2022-09-04T14:36:00.535809Z",
"structure_string": "Te7 As5 I1\n1.0\n4.004149 -0.000000 0.612515\n1.786533 7.127026 1.715298\n-0.094983 0.043935 14.015188\nTe As I\n7 5 1\ndirect\n0.611082 0.459011 0.318825 Te\n0.921171 0.606487 0.551172 Te\n0.226618 0.767676 0.779087 Te\n0.959278 0.251034 0.830413 Te\n0.648877 0.104574 0.597673 Te\n0.339680 0.945184 0.375456 Te\n0.040062 0.803309 0.116565 Te\n0.502300 -0.009618 0.005017 As\n0.807941 0.124493 0.259627 As\n0.121364 0.293623 0.463650 As\n0.450989 0.418617 0.679407 As\n0.762934 0.582188 0.891947 As\n0.302307 0.321920 0.073466 I\n",
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{
"id": "jvasp-11278",
"created_at": "2022-09-04T14:38:16.664472Z",
"updated_at": "2022-09-04T14:38:16.664494Z",
"structure_string": "Zn2 Co3 O8\n1.0\n4.751074 0.192284 -1.126986\n-0.828412 4.923556 -2.652320\n0.238323 -0.190828 5.596705\nZn Co O\n2 3 8\ndirect\n0.605329 0.708857 0.417712 Zn\n0.394669 0.291144 0.582286 Zn\n0.500000 0.999999 -0.000000 Co\n0.999998 0.745798 -0.000001 Co\n0.999998 0.254202 -0.000001 Co\n0.093513 0.395110 0.790220 O\n0.906486 0.604888 0.209778 O\n0.125314 0.900731 0.801461 O\n0.874685 0.099268 0.198536 O\n0.367011 0.339543 0.227819 O\n0.367011 0.888278 0.227820 O\n0.632989 0.111721 0.772178 O\n0.632989 0.660457 0.772179 O\n",
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{
"id": "jvasp-42305",
"created_at": "2022-09-04T14:38:17.900698Z",
"updated_at": "2022-09-04T14:38:17.900716Z",
"structure_string": "Li1 Co4 O8\n1.0\n-2.813989 -4.873971 -0.000000\n2.813989 -4.873971 -0.000000\n0.000000 -3.249314 4.714409\nLi Co O\n1 4 8\ndirect\n0.500000 -0.000000 0.000000 Li\n0.500000 -0.000000 0.500000 Co\n-0.000000 -0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n-0.000000 0.500000 0.500000 Co\n0.732982 0.232982 0.301056 O\n0.763980 0.263980 0.704483 O\n0.236019 0.232443 0.295517 O\n0.267556 0.263980 0.704483 O\n0.732443 0.736019 0.295517 O\n0.763980 0.767556 0.704483 O\n0.236019 0.736019 0.295517 O\n0.267017 0.767018 0.698944 O\n",
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"formula_full": "Li1 Co4 O8",
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{
"id": "jvasp-9257",
"created_at": "2022-09-04T14:38:12.373696Z",
"updated_at": "2022-09-04T14:38:12.373720Z",
"structure_string": "Sr2 Y1 Tl1 Cr2 O7\n1.0\n3.834749 0.000000 -0.000000\n0.000000 3.834749 -0.000000\n0.000000 0.000000 12.628830\nSr Y Tl Cr O\n2 1 1 2 7\ndirect\n0.500000 0.500000 0.194380 Sr\n0.500000 0.500000 0.805620 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.357324 Cr\n0.000000 0.000000 0.642676 Cr\n0.000000 0.500000 0.386705 O\n0.500000 0.000000 0.386705 O\n0.000000 0.500000 0.613295 O\n0.500000 0.000000 0.613295 O\n0.000000 0.000000 0.208089 O\n0.000000 0.000000 0.791911 O\n0.500000 0.500000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:11.972035Z",
"updated_at": "2022-09-04T14:38:11.972056Z",
"structure_string": "Mg1 Fe4 S8\n1.0\n5.726733 -0.128452 4.154414\n2.048367 5.349407 4.154414\n-0.191290 -0.128452 7.072344\nMg Fe S\n1 4 8\ndirect\n0.500000 0.500002 0.499998 Mg\n0.500001 1.000000 0.499999 Fe\n0.999999 0.500001 0.500000 Fe\n0.500000 0.500000 -0.000001 Fe\n0.000000 0.000000 0.000000 Fe\n0.762306 0.262740 0.762305 S\n0.237693 0.237694 0.737260 S\n0.237693 0.737262 0.237692 S\n0.737260 0.237694 0.237693 S\n0.261196 0.261198 0.261196 S\n0.738803 0.738804 0.738802 S\n0.262740 0.762308 0.762305 S\n0.762307 0.762308 0.262738 S\n",
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{
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"created_at": "2022-09-04T14:38:29.848178Z",
"updated_at": "2022-09-04T14:38:29.848201Z",
"structure_string": "Ba2 Y1 Tl1 V2 O7\n1.0\n3.923462 -0.013822 -0.001472\n0.013844 3.926082 -0.003315\n0.004017 0.011612 12.843108\nBa Y Tl V O\n2 1 1 2 7\ndirect\n0.499971 0.486606 0.191957 Ba\n0.499979 0.486531 0.808067 Ba\n0.500095 0.477507 0.500000 Y\n-0.000179 0.047050 0.000012 Tl\n0.000066 -0.022026 0.367203 V\n0.000078 -0.022065 0.632795 V\n-0.000008 -0.023794 0.221257 O\n0.500068 -0.024196 0.388223 O\n0.000080 0.477075 0.388181 O\n0.000107 0.477020 0.611805 O\n0.499670 0.688393 0.000004 O\n0.500066 -0.024231 0.611767 O\n0.000006 -0.023871 0.778736 O\n",
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"structure_string": "Mn5 O3 F5\n1.0\n6.271617 0.013785 0.009776\n3.086538 -5.459547 0.009776\n3.086538 -1.796140 -5.155641\nMn O F\n5 3 5\ndirect\n0.370851 0.370851 0.370850 Mn\n0.380676 0.380676 0.886141 Mn\n0.380676 0.886143 0.380674 Mn\n0.886143 0.380676 0.380674 Mn\n0.978956 0.978956 0.978953 Mn\n0.130570 0.592055 0.130569 O\n0.130570 0.130570 0.592055 O\n0.592055 0.130570 0.130569 O\n0.122300 0.122300 0.122300 F\n0.183106 0.611207 0.611205 F\n0.611206 0.611207 0.183105 F\n0.611207 0.183106 0.611205 F\n0.619031 0.619032 0.619029 F\n",
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{
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"created_at": "2022-09-04T14:38:18.197426Z",
"updated_at": "2022-09-04T14:38:18.197446Z",
"structure_string": "Li1 Mn2 P2 O8\n1.0\n2.562411 1.487347 -3.914036\n-2.562411 4.182149 0.203736\n5.109736 2.687328 4.106350\nLi Mn P O\n1 2 2 8\ndirect\n0.495535 0.495535 0.000000 Li\n0.959826 0.959827 0.000000 Mn\n0.548530 0.548530 0.500000 Mn\n0.479571 0.016694 0.249494 P\n0.016694 0.479571 0.750506 P\n0.564119 0.712472 0.239207 O\n0.636999 0.152084 0.075981 O\n0.147885 0.568866 0.562933 O\n0.172696 0.044727 0.220740 O\n0.044727 0.172696 0.779260 O\n0.568866 0.147885 0.437067 O\n0.152084 0.636999 0.924020 O\n0.712472 0.564119 0.760794 O\n",
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"formula_full": "Li1 Mn2 P2 O8",
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{
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"created_at": "2022-09-04T14:38:18.381336Z",
"updated_at": "2022-09-04T14:38:18.381352Z",
"structure_string": "Mg1 Co4 S8\n1.0\n5.658070 -0.224119 3.922114\n1.933829 5.322056 3.922114\n-0.333760 -0.224119 6.876434\nMg Co S\n1 4 8\ndirect\n0.500000 0.500001 0.499998 Mg\n0.500001 1.000000 0.500000 Co\n0.999999 0.500000 0.500000 Co\n0.500000 0.500000 -0.000001 Co\n0.000000 0.000000 0.000000 Co\n0.763569 0.265143 0.763568 S\n0.236430 0.236431 0.734857 S\n0.236430 0.734859 0.236429 S\n0.734856 0.236431 0.236430 S\n0.263007 0.263010 0.263007 S\n0.736992 0.736993 0.736991 S\n0.265144 0.763570 0.763568 S\n0.763570 0.763570 0.265142 S\n",
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}
]
}