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{
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{
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{
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"formula_full": "Al40 O60",
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{
"id": "mp-1209118",
"created_at": "2022-09-04T14:44:11.624196Z",
"structure_string": "Rb1 Yb1 W2 O8\n1.0\n3.096669 -5.363588 0.000000\n3.096669 5.363588 0.000000\n0.000000 0.000000 8.192556\nRb Yb W O\n1 1 2 8\ndirect\n0.000000 0.000000 0.000000 Rb\n0.000000 0.000000 0.500000 Yb\n0.333333 0.666667 0.264481 W\n0.666667 0.333333 0.735519 W\n0.171761 0.828239 0.333618 O\n0.828239 0.171761 0.666382 O\n0.171761 0.343523 0.333618 O\n0.828239 0.656477 0.666382 O\n0.656477 0.828239 0.333618 O\n0.343523 0.171761 0.666382 O\n0.333333 0.666667 0.045037 O\n0.666667 0.333333 0.954963 O\n",
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"formula_full": "Rb1 Yb1 W2 O8",
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{
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"structure_string": "Li2 Fe3 Co3 O12\n1.0\n5.850119 0.000000 0.000000\n-0.003842 5.977535 0.000000\n-1.541543 -1.759160 6.290042\nLi Fe Co O\n2 3 3 12\ndirect\n0.686231 0.681928 0.681327 Li\n0.313769 0.318072 0.318673 Li\n0.832990 0.845987 0.325495 Fe\n0.500000 0.500000 0.000000 Fe\n0.167010 0.154013 0.674505 Fe\n0.333972 0.833593 0.330678 Co\n0.000000 0.500000 0.000000 Co\n0.666028 0.166407 0.669322 Co\n0.244663 0.727123 0.029834 O\n0.755701 0.709551 0.007263 O\n0.427968 0.932145 0.637103 O\n0.091231 0.606509 0.301414 O\n0.893263 0.942350 0.645600 O\n0.568022 0.612354 0.315710 O\n0.431978 0.387646 0.684290 O\n0.106737 0.057650 0.354400 O\n0.908769 0.393491 0.698586 O\n0.572032 0.067855 0.362897 O\n0.244299 0.290449 0.992737 O\n0.755337 0.272877 0.970166 O\n",
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{
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"structure_string": "Rb2 Tl2 Br6\n1.0\n7.124917 -4.114640 0.000000\n7.124917 4.114640 0.000000\n4.748712 0.000000 6.718961\nRb Tl Br\n2 2 6\ndirect\n0.726402 0.726402 0.726402 Rb\n0.226402 0.226402 0.226402 Rb\n0.995387 0.995387 0.995387 Tl\n0.495387 0.495387 0.495387 Tl\n0.755456 0.173320 0.320934 Br\n0.173320 0.320934 0.755456 Br\n0.320934 0.755456 0.173320 Br\n0.820934 0.673320 0.255456 Br\n0.255456 0.820934 0.673320 Br\n0.673320 0.255456 0.820934 Br\n",
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{
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{
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{
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{
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"structure_string": "Mg14 Mn1 Nb1 O16\n1.0\n8.628738 0.000000 0.000000\n0.000000 8.628738 0.000000\n0.000000 0.000000 4.324481\nMg Mn Nb O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.251842 0.000000 0.500000 Mg\n0.748158 0.000000 0.500000 Mg\n0.245810 0.500000 0.500000 Mg\n0.754190 0.500000 0.500000 Mg\n0.000000 0.251842 0.500000 Mg\n0.500000 0.245810 0.500000 Mg\n0.000000 0.748158 0.500000 Mg\n0.500000 0.754190 0.500000 Mg\n0.248939 0.248939 0.000000 Mg\n0.751061 0.248939 0.000000 Mg\n0.248939 0.751061 0.000000 Mg\n0.751061 0.751061 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Nb\n0.000000 0.255615 0.000000 O\n0.500000 0.238179 0.000000 O\n0.000000 0.744385 0.000000 O\n0.500000 0.761821 0.000000 O\n0.250466 0.250466 0.500000 O\n0.749534 0.250466 0.500000 O\n0.250466 0.749534 0.500000 O\n0.749534 0.749534 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.255615 0.000000 0.000000 O\n0.744385 0.000000 0.000000 O\n0.238179 0.500000 0.000000 O\n0.761821 0.500000 0.000000 O\n",
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}