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{
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{
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"structure_string": "Na2 Nb2 O6\n1.0\n2.839647 3.944307 2.813119\n2.839647 -3.944307 -2.813119\n2.839647 3.944307 -2.813119\nNa Nb O\n2 2 6\ndirect\n0.005060 0.250000 0.744940 Na\n0.994940 0.750000 0.255060 Na\n0.500000 0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.435678 0.750000 0.814322 O\n0.564322 0.250000 0.185678 O\n0.500000 0.716742 0.283258 O\n0.000000 0.783258 0.716742 O\n0.500000 0.283258 0.716742 O\n0.000000 0.216742 0.283258 O\n",
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{
"id": "mp-1019895",
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"structure_string": "La12 B4 N8 O12\n1.0\n3.715635 0.000000 0.000000\n0.000000 11.060764 0.000000\n0.000000 0.000000 12.745953\nLa B N O\n12 4 8 12\ndirect\n0.250000 0.417510 0.383937 La\n0.250000 0.082490 0.883937 La\n0.750000 0.582490 0.616063 La\n0.750000 0.917510 0.116063 La\n0.250000 0.275299 0.627513 La\n0.250000 0.224701 0.127513 La\n0.750000 0.724701 0.372487 La\n0.750000 0.775299 0.872487 La\n0.750000 0.111234 0.385435 La\n0.750000 0.388766 0.885435 La\n0.250000 0.888766 0.614565 La\n0.250000 0.611234 0.114565 La\n0.750000 0.081562 0.709570 B\n0.750000 0.418438 0.209570 B\n0.250000 0.918438 0.290430 B\n0.250000 0.581562 0.790430 B\n0.250000 0.467486 0.732949 N\n0.250000 0.032514 0.232949 N\n0.750000 0.532514 0.267051 N\n0.750000 0.967486 0.767051 N\n0.750000 0.199615 0.761488 N\n0.750000 0.300385 0.261488 N\n0.250000 0.800385 0.238512 N\n0.250000 0.699615 0.738512 N\n0.250000 0.609727 0.466780 O\n0.250000 0.890273 0.966780 O\n0.750000 0.390273 0.533220 O\n0.750000 0.109727 0.033220 O\n0.250000 0.210705 0.446104 O\n0.250000 0.289295 0.946104 O\n0.750000 0.789295 0.553896 O\n0.750000 0.710705 0.053896 O\n0.750000 0.078613 0.595979 O\n0.750000 0.421387 0.095979 O\n0.250000 0.921387 0.404021 O\n0.250000 0.578613 0.904021 O\n",
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"formula_full": "La12 B4 N8 O12",
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{
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"structure_string": "Na4 Sr2 P8 O24\n1.0\n9.973588 0.000000 0.000000\n0.000000 9.973588 0.000000\n0.000000 0.000000 5.056212\nNa Sr P O\n4 2 8 24\ndirect\n0.750000 0.750000 0.500000 Na\n0.750000 0.250000 0.500000 Na\n0.250000 0.750000 0.500000 Na\n0.250000 0.250000 0.500000 Na\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.287888 0.000000 P\n0.287888 0.000000 0.000000 P\n0.712112 0.000000 0.000000 P\n0.000000 0.712112 0.000000 P\n0.500000 0.212112 0.000000 P\n0.212112 0.500000 0.000000 P\n0.787888 0.500000 0.000000 P\n0.500000 0.787888 0.000000 P\n0.109884 0.390116 0.130423 O\n0.390116 0.890116 0.130423 O\n0.609884 0.109884 0.130423 O\n0.890116 0.609884 0.130423 O\n0.890116 0.390116 0.869577 O\n0.109884 0.609884 0.869577 O\n0.390116 0.109884 0.869577 O\n0.609884 0.890116 0.869577 O\n0.786276 0.939418 0.228179 O\n0.939418 0.213724 0.228179 O\n0.060582 0.786276 0.228179 O\n0.213724 0.060582 0.228179 O\n0.213724 0.939418 0.771821 O\n0.786276 0.060582 0.771821 O\n0.939418 0.786276 0.771821 O\n0.060582 0.213724 0.771821 O\n0.713724 0.560582 0.771821 O\n0.560582 0.286276 0.771821 O\n0.439418 0.713724 0.771821 O\n0.286276 0.439418 0.771821 O\n0.286276 0.560582 0.228179 O\n0.713724 0.439418 0.228179 O\n0.560582 0.713724 0.228179 O\n0.439418 0.286276 0.228179 O\n",
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{
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"structure_string": "Sc16 O24\n1.0\n-4.961171 4.961171 4.961171\n4.961171 -4.961171 4.961171\n4.961171 4.961171 -4.961171\nSc O\n16 24\ndirect\n0.500000 0.000000 0.500000 Sc\n0.500000 0.500000 0.000000 Sc\n0.000000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.785680 0.250000 0.035680 Sc\n0.714320 0.750000 0.464320 Sc\n0.250000 0.035680 0.785680 Sc\n0.750000 0.464320 0.714320 Sc\n0.035680 0.785680 0.250000 Sc\n0.464320 0.714320 0.750000 Sc\n0.214320 0.750000 0.964320 Sc\n0.285680 0.250000 0.535680 Sc\n0.750000 0.964320 0.214320 Sc\n0.250000 0.535680 0.285680 Sc\n0.964320 0.214320 0.750000 Sc\n0.535680 0.285680 0.250000 Sc\n0.489026 0.226452 0.454213 O\n0.227761 0.273548 0.762574 O\n0.010974 0.465187 0.737426 O\n0.272239 0.034813 0.045787 O\n0.226452 0.454213 0.489026 O\n0.273548 0.762574 0.227761 O\n0.465187 0.737426 0.010974 O\n0.034813 0.045787 0.272239 O\n0.454213 0.489026 0.226452 O\n0.762574 0.227761 0.273548 O\n0.737426 0.010974 0.465187 O\n0.045787 0.272239 0.034813 O\n0.510974 0.773548 0.545787 O\n0.772239 0.726452 0.237426 O\n0.989026 0.534813 0.262574 O\n0.727761 0.965187 0.954213 O\n0.773548 0.545787 0.510974 O\n0.726452 0.237426 0.772239 O\n0.534813 0.262574 0.989026 O\n0.965187 0.954213 0.727761 O\n0.545787 0.510974 0.773548 O\n0.237426 0.772239 0.726452 O\n0.262574 0.989026 0.534813 O\n0.954213 0.727761 0.965187 O\n",
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{
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{
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},
{
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"structure_string": "K1 Eu1 Sb1 W1 O6\n1.0\n0.000000 -4.213053 -4.213053\n4.213053 0.000000 -4.213053\n4.213053 -4.213053 0.000000\nK Eu Sb W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 W\n0.731898 0.268102 0.268102 O\n0.268102 0.731898 0.731898 O\n0.731898 0.268102 0.731898 O\n0.268102 0.731898 0.268102 O\n0.731898 0.731898 0.268102 O\n0.268102 0.268102 0.731898 O\n",
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"formula_full": "K1 Eu1 Sb1 W1 O6",
"formula_reduced": "KEuSbWO6",
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{
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"structure_string": "Mg1 Ti1 Ir2\n1.0\n0.000000 3.100973 3.100973\n3.100973 0.000000 3.100973\n3.100973 3.100973 0.000000\nMg Ti Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Ti\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
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{
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{
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"structure_string": "Ca4 Al4 O10\n1.0\n-5.381930 0.000000 -0.074852\n-0.077971 0.000000 -5.415848\n-2.729950 -7.263812 -2.745350\nCa Al O\n4 4 10\ndirect\n0.631946 0.632165 0.786530 Ca\n0.368054 0.367835 0.213470 Ca\n0.081525 0.081306 0.786530 Ca\n0.918475 0.918694 0.213470 Ca\n0.500000 0.000000 0.000000 Al\n0.000000 0.500000 0.000000 Al\n0.672587 0.320475 0.500000 Al\n0.327413 0.679525 0.500000 Al\n0.261811 0.261811 0.976379 O\n0.247155 0.747155 0.005690 O\n0.752845 0.252845 0.994310 O\n0.738189 0.738189 0.023621 O\n0.668048 0.101651 0.715865 O\n0.331952 0.898349 0.284135 O\n0.116088 0.682484 0.715865 O\n0.883912 0.317516 0.284135 O\n0.668863 0.658014 0.500000 O\n0.331137 0.341986 0.500000 O\n",
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}
]
}