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{
"id": "mp-1183626",
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"structure_string": "Cd3 Ir1\n1.0\n4.216704 0.000000 0.000000\n0.000000 4.216704 0.000000\n0.000000 0.000000 4.216704\nCd Ir\n3 1\ndirect\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.000000 Ir\n",
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{
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"structure_string": "Li2 Mn2 O4\n1.0\n2.438017 2.985881 1.724035\n0.013008 -0.000949 5.155321\n2.439629 -2.987804 1.725101\nLi Mn O\n2 2 4\ndirect\n0.749654 0.499213 0.248541 Li\n0.498785 0.999685 0.498406 Li\n0.249471 0.499005 0.748696 Mn\n0.999450 0.998841 0.998800 Mn\n0.230597 0.536855 0.229756 O\n0.768556 0.460863 0.767748 O\n0.018365 0.960872 0.517790 O\n0.480368 0.036955 0.979733 O\n",
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"volume": 74.9726197334456,
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"formula_full": "Li2 Mn2 O4",
"formula_reduced": "LiMnO2",
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{
"id": "mp-1186948",
"created_at": "2022-09-04T14:43:36.678585Z",
"structure_string": "Sb1 Pb1 O3\n1.0\n4.216556 0.000000 0.000000\n0.000000 4.216556 0.000000\n0.000000 0.000000 4.216556\nSb Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:48:05.436642Z",
"structure_string": "Pu1 Cr2 Si2\n1.0\n-1.844597 1.844597 5.508128\n1.844597 -1.844597 5.508128\n1.844597 1.844597 -5.508128\nPu Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.608725 0.608725 0.000000 Si\n0.391275 0.391275 0.000000 Si\n",
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"formula_full": "Pu1 Cr2 Si2",
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{
"id": "mp-634896",
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"structure_string": "Y2 O2 F2\n1.0\n2.037065 3.562007 0.000000\n-2.037065 3.562007 0.000000\n0.000000 1.447381 5.165336\nY O F\n2 2 2\ndirect\n0.211323 0.211323 0.767476 Y\n0.788677 0.788677 0.232524 Y\n0.877244 0.877244 0.826586 O\n0.122756 0.122756 0.173414 O\n0.597590 0.597590 0.648370 F\n0.402410 0.402410 0.351630 F\n",
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"volume": 74.95976708380867,
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"formula_full": "Y2 O2 F2",
"formula_reduced": "YOF",
"formula_anonymous": "ABC",
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"spacegroup": 12
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{
"id": "mp-22154",
"created_at": "2022-09-04T14:46:22.041349Z",
"structure_string": "In2 Au1\n1.0\n0.000000 3.346531 3.346531\n3.346531 0.000000 3.346531\n3.346531 3.346531 0.000000\nIn Au\n2 1\ndirect\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Au\n",
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"updated_at": "2021-11-28T01:37:28.890000Z",
"spacegroup": 225
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{
"id": "mp-1226488",
"created_at": "2022-09-04T14:40:14.024432Z",
"structure_string": "Ce1 Zr1 O4\n1.0\n6.164669 -1.888405 0.000000\n6.164669 1.888405 0.000000\n5.586200 0.000000 3.219253\nCe Zr O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.000000 0.000000 0.000000 Zr\n0.370306 0.370306 0.370306 O\n0.879284 0.879284 0.879284 O\n0.629694 0.629694 0.629694 O\n0.120716 0.120716 0.120716 O\n",
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"volume": 74.95317071407196,
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"formula_full": "Ce1 Zr1 O4",
"formula_reduced": "CeZrO4",
"formula_anonymous": "ABC4",
"energy": -57.128777,
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{
"id": "mp-1181447",
"created_at": "2022-09-04T14:45:19.673581Z",
"structure_string": "Eu2 H4\n1.0\n1.987748 -3.442880 0.000000\n1.987748 3.442880 0.000000\n0.000000 0.000000 5.475758\nEu H\n2 4\ndirect\n0.666667 0.333333 0.750000 Eu\n0.333333 0.666667 0.250000 Eu\n0.333333 0.666667 0.750000 H\n0.666667 0.333333 0.250000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.000000 0.000000 H\n",
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"volume": 74.94755214892471,
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{
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"created_at": "2022-09-04T14:41:11.123812Z",
"structure_string": "Pt1 Se2\n1.0\n1.880512 -3.257143 0.000000\n1.880512 3.257143 0.000000\n0.000000 0.000000 6.117971\nPt Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Pt\n0.666667 0.333333 0.786417 Se\n0.333333 0.666667 0.213583 Se\n",
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{
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"created_at": "2022-09-04T14:39:30.009314Z",
"structure_string": "Tm1 Sb1 Pd1\n1.0\n0.000000 3.346325 3.346325\n3.346325 0.000000 3.346325\n3.346325 3.346325 0.000000\nTm Sb Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Sb\n0.500000 0.500000 0.500000 Pd\n",
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{
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"structure_string": "Ti1 Br2\n1.0\n1.749434 -3.030109 0.000000\n1.749434 3.030109 0.000000\n0.000000 0.000000 7.068014\nTi Br\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666667 0.239321 Br\n0.666667 0.333333 0.760679 Br\n",
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}
]
}