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{
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{
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{
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{
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"structure_string": "Tb1 Si2 Ir2\n1.0\n-2.044106 2.044106 5.000240\n2.044106 -2.044106 5.000240\n2.044106 2.044106 -5.000240\nTb Si Ir\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621544 0.621544 0.000000 Si\n0.378456 0.378456 0.000000 Si\n0.250000 0.750000 0.500000 Ir\n0.750000 0.250000 0.500000 Ir\n",
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{
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"structure_string": "Sr1 Mg30 Nb1 O32\n1.0\n8.617718 0.000000 0.000000\n0.000000 8.617718 0.000000\n0.000000 0.000000 8.699053\nSr Mg Nb O\n1 30 1 32\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.257041 0.252499 Mg\n0.000000 0.257041 0.747501 Mg\n0.000000 0.742959 0.252499 Mg\n0.000000 0.742959 0.747501 Mg\n0.500000 0.250768 0.250355 Mg\n0.500000 0.250768 0.749645 Mg\n0.500000 0.749232 0.250355 Mg\n0.500000 0.749232 0.749645 Mg\n0.257041 0.000000 0.252499 Mg\n0.257041 0.000000 0.747501 Mg\n0.250768 0.500000 0.250355 Mg\n0.250768 0.500000 0.749645 Mg\n0.742959 0.000000 0.252499 Mg\n0.742959 0.000000 0.747501 Mg\n0.749232 0.500000 0.250355 Mg\n0.749232 0.500000 0.749645 Mg\n0.255309 0.255309 0.000000 Mg\n0.252348 0.252348 0.500000 Mg\n0.255309 0.744691 0.000000 Mg\n0.252348 0.747652 0.500000 Mg\n0.744691 0.255309 0.000000 Mg\n0.747652 0.252348 0.500000 Mg\n0.744691 0.744691 0.000000 Mg\n0.747652 0.747652 0.500000 Mg\n0.000000 0.000000 0.500000 Nb\n0.271260 0.000000 0.000000 O\n0.262776 0.000000 0.500000 O\n0.254136 0.500000 0.000000 O\n0.252110 0.500000 0.500000 O\n0.728740 0.000000 0.000000 O\n0.737224 0.000000 0.500000 O\n0.745864 0.500000 0.000000 O\n0.747890 0.500000 0.500000 O\n0.249574 0.249574 0.250107 O\n0.249574 0.249574 0.749893 O\n0.249574 0.750426 0.250107 O\n0.249574 0.750426 0.749893 O\n0.750426 0.249574 0.250107 O\n0.750426 0.249574 0.749893 O\n0.750426 0.750426 0.250107 O\n0.750426 0.750426 0.749893 O\n0.000000 0.000000 0.257173 O\n0.000000 0.000000 0.742827 O\n0.000000 0.500000 0.252883 O\n0.000000 0.500000 0.747117 O\n0.500000 0.000000 0.252883 O\n0.500000 0.000000 0.747117 O\n0.500000 0.500000 0.250747 O\n0.500000 0.500000 0.749253 O\n0.000000 0.271260 0.000000 O\n0.000000 0.262776 0.500000 O\n0.000000 0.728740 0.000000 O\n0.000000 0.737224 0.500000 O\n0.500000 0.254136 0.000000 O\n0.500000 0.252110 0.500000 O\n0.500000 0.745864 0.000000 O\n0.500000 0.747890 0.500000 O\n",
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{
"id": "mp-1100587",
"created_at": "2022-09-04T14:39:41.247164Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.912711 0.000000 0.000000\n0.000000 10.293916 0.000000\n0.000000 3.505338 9.724593\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.003942 0.737418 Li\n0.500000 0.995798 0.265791 Li\n0.000000 0.747319 0.740137 Li\n0.000000 0.743693 0.260532 Li\n0.500000 0.504067 0.741479 Li\n0.500000 0.497535 0.258668 Li\n0.000000 0.251183 0.730758 Li\n0.000000 0.249485 0.261037 Li\n0.500000 0.248623 0.505086 Li\n0.000000 0.003330 0.000124 Mn\n0.500000 0.745544 0.999134 Mn\n0.000000 0.016281 0.506443 Co\n0.500000 0.754425 0.495638 Co\n0.000000 0.495068 0.999991 Co\n0.000000 0.492202 0.497748 Co\n0.500000 0.252983 0.000360 Co\n0.500000 0.107473 0.886930 O\n0.500000 0.117122 0.381557 O\n0.000000 0.870641 0.897590 O\n0.000000 0.867877 0.383211 O\n0.500000 0.615016 0.877061 O\n0.500000 0.623190 0.382761 O\n0.000000 0.360302 0.893631 O\n0.000000 0.392326 0.390092 O\n0.500000 0.872972 0.614013 O\n0.500000 0.898987 0.112966 O\n0.000000 0.621018 0.603136 O\n0.000000 0.637319 0.111085 O\n0.500000 0.386762 0.619258 O\n0.500000 0.378941 0.123439 O\n0.000000 0.115084 0.622134 O\n0.000000 0.133489 0.100793 O\n",
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{
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{
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"structure_string": "Mn10 Fe2 O24\n1.0\n4.145757 4.142788 0.000000\n-4.145757 4.142788 0.000000\n0.000000 3.986476 12.449393\nMn Fe O\n10 2 24\ndirect\n0.500000 0.000000 0.000000 Mn\n0.166180 0.165813 0.167038 Mn\n0.666268 0.165917 0.167142 Mn\n0.834083 0.333732 0.332858 Mn\n0.834187 0.833820 0.332962 Mn\n0.000000 0.500000 0.500000 Mn\n0.165917 0.666268 0.667142 Mn\n0.165813 0.166180 0.667038 Mn\n0.833820 0.834187 0.832962 Mn\n0.333732 0.834083 0.832858 Mn\n0.500000 0.500000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.270863 0.236032 0.011599 O\n0.715909 0.238213 0.011412 O\n0.420166 0.386359 0.159855 O\n0.422254 0.953717 0.156128 O\n0.910828 0.379750 0.177460 O\n0.910788 0.943269 0.177208 O\n0.056731 0.089212 0.322792 O\n0.620250 0.089172 0.322540 O\n0.613641 0.579834 0.340145 O\n0.046283 0.577746 0.343872 O\n0.763968 0.729137 0.488401 O\n0.761787 0.284091 0.488588 O\n0.238213 0.715909 0.511412 O\n0.236032 0.270863 0.511599 O\n0.953717 0.422254 0.656128 O\n0.386359 0.420166 0.659855 O\n0.943269 0.910788 0.677208 O\n0.379750 0.910828 0.677460 O\n0.089212 0.056731 0.822792 O\n0.089172 0.620250 0.822540 O\n0.579834 0.613641 0.840145 O\n0.577746 0.046283 0.843872 O\n0.729137 0.763968 0.988401 O\n0.284091 0.761787 0.988588 O\n",
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{
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"structure_string": "Ba1 Li1 Mg14\n1.0\n6.643183 0.088315 0.000000\n-3.245108 5.620691 0.000000\n0.000000 0.000000 10.644677\nBa Li Mg\n1 1 14\ndirect\n0.160949 0.830474 0.125000 Ba\n0.172332 0.336166 0.125000 Li\n0.162133 0.331066 0.625000 Mg\n0.164756 0.832377 0.625000 Mg\n0.659132 0.336180 0.125000 Mg\n0.667565 0.331655 0.625000 Mg\n0.659132 0.822951 0.125000 Mg\n0.667565 0.835909 0.625000 Mg\n0.340552 0.177085 0.390069 Mg\n0.340552 0.177085 0.859931 Mg\n0.340552 0.663469 0.390069 Mg\n0.340552 0.663469 0.859931 Mg\n0.837080 0.168541 0.370753 Mg\n0.837080 0.168541 0.879247 Mg\n0.825034 0.662518 0.389438 Mg\n0.825034 0.662518 0.860562 Mg\n",
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{
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},
{
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"structure_string": "Pa1 Ga1 Au2\n1.0\n0.000000 3.466193 3.466193\n3.466193 0.000000 3.466193\n3.466193 3.466193 0.000000\nPa Ga Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pa\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
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],
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"formula_full": "Pa1 Ga1 Au2",
"formula_reduced": "PaGaAu2",
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},
{
"id": "mp-540258",
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"structure_string": "Ti2 P8 O24\n1.0\n4.109012 6.216155 0.000000\n-4.109012 6.216155 0.000000\n0.000000 4.334162 8.892103\nTi P O\n2 8 24\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.751688 0.258918 0.466529 P\n0.741082 0.248312 0.033471 P\n0.692460 0.658005 0.814316 P\n0.258918 0.751688 0.966529 P\n0.248312 0.741082 0.533471 P\n0.341995 0.307540 0.685684 P\n0.658005 0.692460 0.314316 P\n0.307540 0.341995 0.185684 P\n0.659237 0.467681 0.343928 O\n0.193019 0.355112 0.344808 O\n0.806981 0.644888 0.655192 O\n0.825485 0.334345 0.557072 O\n0.334345 0.825485 0.057072 O\n0.467681 0.659237 0.843928 O\n0.311026 0.161873 0.145618 O\n0.208359 0.543862 0.075336 O\n0.543862 0.208359 0.575336 O\n0.096251 0.880633 0.894777 O\n0.340763 0.532319 0.656072 O\n0.355112 0.193019 0.844808 O\n0.838127 0.688974 0.354382 O\n0.119367 0.903749 0.605223 O\n0.880633 0.096251 0.394777 O\n0.665655 0.174515 0.942928 O\n0.644888 0.806981 0.155192 O\n0.174515 0.665655 0.442928 O\n0.903749 0.119367 0.105223 O\n0.456138 0.791641 0.424664 O\n0.791641 0.456138 0.924664 O\n0.688974 0.838127 0.854382 O\n0.532319 0.340763 0.156072 O\n0.161873 0.311026 0.645618 O\n",
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"volume": 454.24873331851694,
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"formula_full": "Ti2 P8 O24",
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"updated_at": "2021-11-28T01:34:24.120000Z",
"spacegroup": 15
}
]
}