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{
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{
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{
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"formula_full": "La3 B2 N4",
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},
{
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"created_at": "2022-09-04T14:39:36.381010Z",
"structure_string": "Mg2 Co3 O8\n1.0\n2.828788 5.039249 0.000000\n-2.828788 5.039249 0.000000\n0.000000 1.648777 4.507621\nMg Co O\n2 3 8\ndirect\n0.725398 0.725398 0.342704 Mg\n0.274602 0.274602 0.657296 Mg\n0.000000 0.000000 0.500000 Co\n0.741630 0.258370 0.000000 Co\n0.258370 0.741630 0.000000 Co\n0.396535 0.396535 0.931056 O\n0.603465 0.603465 0.068944 O\n0.894963 0.894963 0.916191 O\n0.105037 0.105037 0.083809 O\n0.337063 0.886924 0.596784 O\n0.886924 0.337063 0.596784 O\n0.113076 0.662937 0.403216 O\n0.662937 0.113076 0.403216 O\n",
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{
"id": "mp-1522589",
"created_at": "2022-09-04T14:46:39.265171Z",
"structure_string": "K1 Eu1 Zr1 Fe1 O6\n1.0\n-0.000000 -4.005316 -4.005316\n4.005316 0.000000 -4.005316\n4.005316 -4.005316 -0.000000\nK Eu Zr Fe O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n-0.000000 -0.000000 -0.000000 Fe\n0.758739 0.241261 0.241261 O\n0.241261 0.758739 0.758739 O\n0.758739 0.241261 0.758739 O\n0.241261 0.758739 0.241261 O\n0.758739 0.758739 0.241261 O\n0.241261 0.241261 0.758739 O\n",
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"formula_full": "K1 Eu1 Zr1 Fe1 O6",
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"spacegroup": 216
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{
"id": "mp-39144",
"created_at": "2022-09-04T14:48:15.750449Z",
"structure_string": "Sr1 Li1 Pr1 Te1 O6\n1.0\n2.808561 4.904026 0.000000\n-2.808561 4.904026 0.000000\n0.000000 3.289131 4.664887\nSr Li Pr Te O\n1 1 1 1 6\ndirect\n0.750638 0.750638 0.244779 Sr\n0.999202 0.999202 0.504665 Li\n0.251317 0.251317 0.763703 Pr\n0.501013 0.501013 0.998204 Te\n0.736643 0.736643 0.691448 O\n0.687623 0.218606 0.803213 O\n0.794585 0.294417 0.182079 O\n0.294417 0.794585 0.182079 O\n0.218606 0.687623 0.803213 O\n0.265957 0.265957 0.326614 O\n",
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"formula_full": "Sr1 Li1 Pr1 Te1 O6",
"formula_reduced": "SrLiPrTeO6",
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"updated_at": "2021-11-28T01:40:06.855000Z",
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{
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"created_at": "2022-09-04T14:40:31.095665Z",
"structure_string": "Nb2 Pt6\n1.0\n4.630361 0.000000 0.000000\n0.000000 4.949054 0.000000\n0.000000 0.000000 5.607512\nNb Pt\n2 6\ndirect\n0.500000 0.656413 0.500000 Nb\n0.000000 0.343587 0.000000 Nb\n0.500000 0.164871 0.750478 Pt\n0.500000 0.164871 0.249522 Pt\n0.000000 0.835129 0.749522 Pt\n0.000000 0.835129 0.250478 Pt\n0.000000 0.341244 0.500000 Pt\n0.500000 0.658756 0.000000 Pt\n",
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"volume": 128.50122141015964,
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"formula_full": "Nb2 Pt6",
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},
{
"id": "mp-1077298",
"created_at": "2022-09-04T14:42:24.830462Z",
"structure_string": "Tb2 Mg2 Ni2\n1.0\n1.840433 -8.817969 0.000000\n1.840433 8.817969 0.000000\n0.000000 0.000000 3.958982\nTb Mg Ni\n2 2 2\ndirect\n0.586655 0.413345 0.750000 Tb\n0.413345 0.586655 0.250000 Tb\n0.797719 0.202281 0.750000 Mg\n0.202281 0.797719 0.250000 Mg\n0.957249 0.042751 0.750000 Ni\n0.042751 0.957249 0.250000 Ni\n",
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{
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{
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"structure_string": "Ca1 B2 H10 N2\n1.0\n2.236262 4.529960 0.000000\n-2.236262 4.529960 0.000000\n0.000000 0.380088 6.342298\nCa B H N\n1 2 10 2\ndirect\n0.435882 0.564118 0.000000 Ca\n0.801425 0.864408 0.210127 B\n0.135592 0.198575 0.789873 B\n0.575499 0.700875 0.417728 H\n0.299125 0.424501 0.582272 H\n0.609593 0.080092 0.687968 H\n0.919908 0.390407 0.312032 H\n0.048805 0.805806 0.295152 H\n0.194194 0.951195 0.704848 H\n0.849056 0.433588 0.744194 H\n0.566412 0.150944 0.255806 H\n0.849691 0.861147 0.015205 H\n0.138853 0.150309 0.984795 H\n0.713479 0.627645 0.279554 N\n0.372355 0.286521 0.720446 N\n",
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{
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{
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"structure_string": "Na1 La1 Hf1 Ti1 O6\n1.0\n0.000000 -4.005146 -4.005146\n4.005146 0.000000 -4.005146\n4.005146 -4.005146 0.000000\nNa La Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743847 0.256153 0.256153 O\n0.256153 0.743847 0.743847 O\n0.743847 0.256153 0.743847 O\n0.256153 0.743847 0.256153 O\n0.743847 0.743847 0.256153 O\n0.256153 0.256153 0.743847 O\n",
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]
}