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{
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{
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{
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{
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{
"id": "mp-1208614",
"created_at": "2022-09-04T14:41:27.822596Z",
"structure_string": "Sr1 Ti1 P2 O8\n1.0\n4.073014 2.634325 -0.222164\n4.073014 -2.634325 -0.222164\n0.013437 0.000000 -7.455841\nSr Ti P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Ti\n0.364781 0.364781 0.783575 P\n0.635219 0.635219 0.216425 P\n0.300945 0.300945 0.596508 O\n0.699055 0.699055 0.403492 O\n0.714956 0.231914 0.807876 O\n0.285044 0.768086 0.192124 O\n0.768086 0.285044 0.192124 O\n0.231914 0.714956 0.807876 O\n0.228964 0.228964 0.937661 O\n0.771036 0.771036 0.062339 O\n",
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{
"id": "mp-1026709",
"created_at": "2022-09-04T14:46:42.314344Z",
"structure_string": "Sr1 Mg14 B1\n1.0\n6.594334 0.226358 0.000000\n-3.101135 5.371323 0.000000\n0.000000 0.000000 10.410853\nSr Mg B\n1 14 1\ndirect\n0.108666 0.304333 0.125000 Sr\n0.167983 0.333991 0.625000 Mg\n0.150406 0.825202 0.625000 Mg\n0.580313 0.268659 0.125000 Mg\n0.660522 0.337190 0.625000 Mg\n0.580313 0.811653 0.125000 Mg\n0.660522 0.823331 0.625000 Mg\n0.346482 0.171731 0.383837 Mg\n0.346482 0.171731 0.866163 Mg\n0.346482 0.674752 0.383837 Mg\n0.346482 0.674752 0.866163 Mg\n0.828762 0.164381 0.393733 Mg\n0.828762 0.164381 0.856267 Mg\n0.907492 0.703746 0.295507 Mg\n0.907492 0.703746 0.954493 Mg\n0.232841 0.866420 0.125000 B\n",
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{
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"structure_string": "Ta8 Cr4 N4 O20\n1.0\n4.750628 0.000030 0.000000\n0.000060 9.509499 0.000002\n0.000001 0.000002 9.260205\nTa Cr N O\n8 4 4 20\ndirect\n0.994475 0.007539 0.337893 Ta\n0.994476 0.507522 0.337871 Ta\n0.994474 0.007539 0.662109 Ta\n0.994475 0.507522 0.662126 Ta\n0.505528 0.257512 0.162104 Ta\n0.505547 0.757534 0.162128 Ta\n0.505533 0.257510 0.837898 Ta\n0.505544 0.757537 0.837874 Ta\n0.001531 0.997605 0.000007 Cr\n0.498496 0.747613 0.500005 Cr\n0.001467 0.497721 0.999994 Cr\n0.498521 0.247736 0.500004 Cr\n0.698113 0.346119 0.999999 N\n0.698107 0.846099 0.999999 N\n0.801903 0.096117 0.499999 N\n0.801907 0.596099 0.500001 N\n0.192499 0.400847 0.499999 O\n0.192521 0.900832 0.500000 O\n0.307495 0.150841 0.000000 O\n0.307503 0.650844 0.999999 O\n0.197570 0.399168 0.831240 O\n0.197594 0.899147 0.831245 O\n0.197570 0.399168 0.168757 O\n0.197594 0.899148 0.168755 O\n0.302413 0.149151 0.331238 O\n0.302400 0.649135 0.331234 O\n0.302413 0.149150 0.668762 O\n0.302400 0.649134 0.668765 O\n0.696016 0.346023 0.330101 O\n0.695982 0.846000 0.330100 O\n0.696017 0.346024 0.669898 O\n0.695982 0.845999 0.669899 O\n0.803992 0.096009 0.169900 O\n0.803975 0.596020 0.169906 O\n0.803993 0.096010 0.830100 O\n0.803974 0.596019 0.830092 O\n",
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{
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{
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{
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"energy_uncorrected": -68.1472651,
"band_gap": 0.1462000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.2e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.060000Z",
"spacegroup": 227
}
]
}