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{
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"structure_string": "Ca2 Co4 O10\n1.0\n3.629487 -0.000108 0.000000\n-1.814908 5.536775 0.000000\n0.000000 0.000000 11.225108\nCa Co O\n2 4 10\ndirect\n0.903847 0.807634 0.750000 Ca\n0.096154 0.192366 0.250000 Ca\n0.211115 0.422241 0.596065 Co\n0.788886 0.577759 0.403934 Co\n0.788886 0.577759 0.096066 Co\n0.211115 0.422241 0.903935 Co\n0.721989 0.443993 0.250000 O\n0.278011 0.556007 0.750000 O\n0.220347 0.440708 0.071009 O\n0.779654 0.559292 0.928991 O\n0.779654 0.559292 0.571009 O\n0.220347 0.440708 0.428990 O\n0.061119 0.122275 0.619826 O\n0.938881 0.877723 0.380174 O\n0.061119 0.122275 0.880174 O\n0.938881 0.877723 0.119827 O\n",
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{
"id": "jvasp-10923",
"created_at": "2022-09-04T14:37:18.793672Z",
"updated_at": "2022-09-04T14:37:18.793702Z",
"structure_string": "Ca2 Co4 O10\n1.0\n0.000000 5.043655 -0.000365\n3.451490 0.000000 0.000000\n0.000000 -0.000662 -11.218617\nCa Co O\n2 4 10\ndirect\n0.112667 0.500000 0.249997 Ca\n0.887331 0.000000 0.750002 Ca\n0.584105 0.000000 0.098529 Co\n0.415898 0.500000 0.901471 Co\n0.415900 0.500000 0.598531 Co\n0.584096 0.000000 0.401469 Co\n0.548750 0.500000 0.750000 O\n0.451249 0.000000 0.249999 O\n0.408205 0.500000 0.069172 O\n0.591799 0.000000 0.930829 O\n0.408194 0.500000 0.430830 O\n0.591800 0.000000 0.569170 O\n0.915904 0.000000 0.369547 O\n0.084093 0.500000 0.630454 O\n0.084089 0.500000 0.869557 O\n0.915912 0.000000 0.130444 O\n",
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"formula_full": "Ca2 Co4 O10",
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{
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"structure_string": "Ca1 C1 N2\n1.0\n3.474155 0.016571 4.148892\n1.519129 3.124464 4.148892\n0.026343 0.016571 5.411319\nCa C N\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500001 0.499999 0.500000 C\n0.417390 0.417388 0.417389 N\n0.582612 0.582610 0.582611 N\n",
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{
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"created_at": "2022-09-04T14:37:13.804074Z",
"updated_at": "2022-09-04T14:37:13.804099Z",
"structure_string": "Ca2 Cl4 O12\n1.0\n0.000000 5.718871 3.584874\n5.993633 0.000000 3.584874\n5.993633 5.718871 0.000000\nCa Cl O\n2 4 12\ndirect\n0.997201 0.997200 0.002799 Ca\n0.247201 0.247201 0.252799 Ca\n0.597419 0.024542 0.514177 Cl\n0.386137 0.735823 0.225458 Cl\n0.735823 0.386137 0.652581 Cl\n0.024542 0.597419 0.863863 Cl\n0.148199 0.389791 0.851077 O\n0.639067 0.398922 0.860209 O\n0.269840 0.971908 0.137266 O\n0.818332 0.644342 0.426988 O\n0.644342 0.818332 0.110337 O\n0.389791 0.148198 0.610933 O\n0.398923 0.639066 0.101802 O\n0.139664 0.823011 0.605657 O\n0.823012 0.139663 0.431667 O\n0.629015 0.112734 0.278091 O\n0.971908 0.269840 0.620985 O\n0.112734 0.629015 0.980159 O\n",
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"volume": 245.75611825250434,
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"formula_full": "Ca2 Cl4 O12",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-57149",
"created_at": "2022-09-04T14:37:10.689049Z",
"updated_at": "2022-09-04T14:37:10.689067Z",
"structure_string": "Ca2 Cl4 O8\n1.0\n5.716736 0.000000 0.000000\n0.000000 5.227942 -2.382991\n0.000000 -0.059494 6.795654\nCa Cl O\n2 4 8\ndirect\n0.750001 0.250000 0.500000 Ca\n0.250000 0.750000 0.500000 Ca\n0.250000 0.076888 0.153777 Cl\n0.750001 0.576888 0.153777 Cl\n0.250000 0.423113 0.846223 Cl\n0.750001 0.923112 0.846223 Cl\n0.409681 0.988069 0.300178 O\n0.409681 0.511932 0.699821 O\n0.590320 0.011932 0.699821 O\n0.090320 0.187891 0.699821 O\n0.909681 0.687891 0.699821 O\n0.909681 0.812110 0.300178 O\n0.590320 0.488069 0.300178 O\n0.090320 0.312110 0.300178 O\n",
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{
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"structure_string": "Ca2 Cl2 O2\n1.0\n-1.968600 -3.409615 0.000000\n-1.968600 3.409615 0.000000\n0.000000 0.000000 -9.191588\nCa Cl O\n2 2 2\ndirect\n0.333332 0.666668 0.812242 Ca\n0.666668 0.333332 0.312242 Ca\n0.333322 0.666678 0.506190 Cl\n0.666678 0.333322 0.006189 Cl\n0.000007 0.999993 0.264569 O\n0.999993 0.000007 0.764569 O\n",
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},
{
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"created_at": "2022-09-04T14:36:07.443937Z",
"updated_at": "2022-09-04T14:36:07.443962Z",
"structure_string": "Ca2 Cl2 F2\n1.0\n3.882969 0.000000 -0.000000\n-0.000000 3.882969 -0.000000\n-0.000000 -0.000000 6.813180\nCa Cl F\n2 2 2\ndirect\n0.750000 0.750000 0.803310 Ca\n0.250000 0.250000 0.196690 Ca\n0.250000 0.250000 0.643550 Cl\n0.750000 0.750000 0.356450 Cl\n0.250000 0.750000 0.000000 F\n0.750000 0.250000 0.000000 F\n",
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{
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"structure_string": "Ca2 Cl4\n1.0\n4.136001 0.000000 0.000000\n0.000000 6.170146 0.000000\n0.000000 0.000000 6.486739\nCa Cl\n2 4\ndirect\n0.000000 0.894044 0.749985 Ca\n0.500000 0.394043 0.250016 Ca\n0.500000 0.133145 0.908138 Cl\n0.000000 0.633146 0.091863 Cl\n0.000000 0.154811 0.408068 Cl\n0.500000 0.654811 0.591932 Cl\n",
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{
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{
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"structure_string": "Ca1 Cl2\n1.0\n4.089780 -0.000000 2.361235\n1.363260 3.855881 2.361235\n-0.000000 -0.000000 4.722471\nCa Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cl\n0.750000 0.750000 0.750001 Cl\n",
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}