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{
"id": "mp-8224",
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{
"id": "mp-823",
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"structure_string": "Ti1 Co1\n1.0\n2.978077 0.000000 0.000000\n0.000000 2.978077 0.000000\n0.000000 0.000000 2.978077\nTi Co\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Co\n",
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{
"id": "mp-8230",
"created_at": "2022-09-04T14:45:36.967783Z",
"structure_string": "Zn2 P4 O12\n1.0\n4.552323 4.981706 0.000000\n-4.552323 4.981706 0.000000\n0.000000 1.647679 4.747173\nZn P O\n2 4 12\ndirect\n0.124198 0.875802 0.750000 Zn\n0.875802 0.124198 0.250000 Zn\n0.197218 0.374940 0.744278 P\n0.625060 0.802782 0.755722 P\n0.802782 0.625060 0.255722 P\n0.374940 0.197218 0.244278 P\n0.112935 0.589375 0.691033 O\n0.410625 0.887065 0.808967 O\n0.887065 0.410625 0.308967 O\n0.589375 0.112935 0.191033 O\n0.052240 0.198888 0.847592 O\n0.801112 0.947760 0.652408 O\n0.655425 0.644160 0.039916 O\n0.355840 0.344575 0.460084 O\n0.344575 0.355840 0.960084 O\n0.644160 0.655425 0.539916 O\n0.198888 0.052240 0.347592 O\n0.947760 0.801112 0.152408 O\n",
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"formula_full": "Zn2 P4 O12",
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{
"id": "mp-8231",
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"structure_string": "Zr2 S2 O2\n1.0\n3.627323 0.000000 0.000000\n0.000000 3.627323 0.000000\n0.000000 0.000000 6.411939\nZr S O\n2 2 2\ndirect\n0.000000 0.500000 0.802472 Zr\n0.500000 0.000000 0.197528 Zr\n0.500000 0.000000 0.626870 S\n0.000000 0.500000 0.373130 S\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "mp-8232",
"created_at": "2022-09-04T14:43:06.420287Z",
"structure_string": "Ba2 Zr2 F12\n1.0\n3.891183 -5.768594 0.000000\n3.891183 5.768594 0.000000\n0.000000 0.000000 5.613543\nBa Zr F\n2 2 12\ndirect\n0.250000 0.750000 0.555598 Ba\n0.750000 0.250000 0.444402 Ba\n0.750000 0.750000 0.000000 Zr\n0.250000 0.250000 0.000000 Zr\n0.181327 0.431940 0.250466 F\n0.318673 0.068060 0.250466 F\n0.431940 0.181327 0.749534 F\n0.068060 0.318673 0.749534 F\n0.570103 0.429897 0.149930 F\n0.929897 0.070103 0.149930 F\n0.429897 0.570103 0.850070 F\n0.070103 0.929897 0.850070 F\n0.931940 0.681327 0.250466 F\n0.568060 0.818673 0.250466 F\n0.681327 0.931940 0.749534 F\n0.818673 0.568060 0.749534 F\n",
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"volume": 252.01052504986535,
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},
{
"id": "mp-8234",
"created_at": "2022-09-04T14:39:15.182652Z",
"structure_string": "Ba2 Te6\n1.0\n8.087979 0.000000 0.000000\n0.000000 8.087979 0.000000\n0.000000 0.000000 4.414176\nBa Te\n2 6\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.802550 0.697450 0.503109 Te\n0.302550 0.802550 0.496891 Te\n0.000000 0.500000 0.107531 Te\n0.500000 0.000000 0.892469 Te\n0.197450 0.302550 0.503109 Te\n0.697450 0.197450 0.496891 Te\n",
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"updated_at": "2021-11-28T01:34:31.178000Z",
"spacegroup": 113
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{
"id": "mp-8235",
"created_at": "2022-09-04T14:42:21.547977Z",
"structure_string": "K4 Si2 P4\n1.0\n-3.073432 3.465386 6.518497\n3.073432 -3.465386 6.518497\n3.073432 3.465386 -6.518497\nK Si P\n4 2 4\ndirect\n0.307760 0.145920 0.161840 K\n0.692240 0.854080 0.838160 K\n0.015921 0.354080 0.661840 K\n0.984079 0.645920 0.338160 K\n0.500000 0.250000 0.750000 Si\n0.500000 0.750000 0.250000 Si\n0.432867 0.596395 0.836472 P\n0.240077 0.903605 0.336472 P\n0.759923 0.096395 0.663528 P\n0.567133 0.403605 0.163528 P\n",
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{
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"structure_string": "Ba1 P2 Pd2\n1.0\n4.311163 0.000000 0.000000\n0.000000 4.311163 0.000000\n0.000000 0.000000 5.728365\nBa P Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.709606 P\n0.500000 0.500000 0.290394 P\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "Ba1 As2 Pd2\n1.0\n4.420844 0.000000 0.000000\n0.000000 4.420844 0.000000\n0.000000 0.000000 5.794383\nBa As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.732698 As\n0.500000 0.500000 0.267302 As\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "Ti5 Tl1 Se8\n1.0\n1.786979 9.451264 0.000000\n-1.786979 9.451264 0.000000\n0.000000 2.320354 8.948967\nTi Tl Se\n5 1 8\ndirect\n0.500000 0.500000 0.500000 Ti\n0.152387 0.152387 0.501579 Ti\n0.209071 0.209071 0.151110 Ti\n0.790929 0.790929 0.848890 Ti\n0.847613 0.847613 0.498421 Ti\n0.000000 0.000000 0.000000 Tl\n0.926712 0.926712 0.677945 Se\n0.339356 0.339356 0.998659 Se\n0.660644 0.660644 0.001341 Se\n0.742316 0.742316 0.338265 Se\n0.257684 0.257684 0.661735 Se\n0.414302 0.414302 0.319149 Se\n0.585698 0.585698 0.680851 Se\n0.073288 0.073288 0.322055 Se\n",
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"formula_full": "Ti5 Tl1 Se8",
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{
"id": "mp-8248",
"created_at": "2022-09-04T14:40:54.018034Z",
"structure_string": "Rb4 Te2 O6\n1.0\n3.294804 5.921194 0.000000\n-3.294804 5.921194 0.000000\n0.000000 0.666859 7.645947\nRb Te O\n4 2 6\ndirect\n0.000000 0.000000 0.000000 Rb\n0.682861 0.682861 0.861726 Rb\n0.000000 0.000000 0.500000 Rb\n0.317139 0.317139 0.138274 Rb\n0.663062 0.663062 0.339843 Te\n0.336938 0.336938 0.660157 Te\n0.391165 0.834822 0.212097 O\n0.165178 0.608835 0.787903 O\n0.608835 0.165178 0.787903 O\n0.834822 0.391165 0.212097 O\n0.180907 0.180907 0.730811 O\n0.819093 0.819093 0.269189 O\n",
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"formula_full": "Rb4 Te2 O6",
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]
}