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{
"id": "mp-608595",
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"structure_string": "Na4 Br4 O12\n1.0\n7.536800 0.010062 0.018860\n0.015384 7.749270 0.000724\n0.020717 0.005765 7.387394\nNa Br O\n4 4 12\ndirect\n0.629060 0.460744 0.898716 Na\n0.369710 0.961567 0.602124 Na\n0.870374 0.539698 0.396867 Na\n0.129604 0.039150 0.102781 Na\n0.136218 0.646456 0.880861 Br\n0.366392 0.352370 0.381400 Br\n0.867194 0.147630 0.617451 Br\n0.633957 0.853749 0.119572 Br\n0.281828 0.137300 0.362443 O\n0.973335 0.330189 0.160189 O\n0.895920 0.290840 0.013582 O\n0.400372 0.205861 0.989179 O\n0.100845 0.794837 0.489083 O\n0.593862 0.700066 0.507251 O\n0.217910 0.862623 0.863313 O\n0.782997 0.363322 0.637317 O\n0.026135 0.829191 0.339378 O\n0.531138 0.675192 0.665067 O\n0.473531 0.170753 0.838097 O\n0.719622 0.638463 0.135328 O\n",
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{
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"structure_string": "La2 W19 O57\n1.0\n8.690610 0.000000 0.000000\n3.476509 7.965952 0.000000\n3.477562 0.379519 16.110573\nLa W O\n2 19 57\ndirect\n0.552150 0.632430 0.237470 La\n0.447850 0.367570 0.762530 La\n0.260708 0.154540 0.681867 W\n0.477221 0.686923 0.628728 W\n0.691756 0.204236 0.575953 W\n0.896248 0.734023 0.526001 W\n0.103752 0.265977 0.473999 W\n0.308244 0.795764 0.424047 W\n0.522779 0.313077 0.371272 W\n0.739292 0.845460 0.318133 W\n0.952516 0.364289 0.264921 W\n0.152378 0.898604 0.208772 W\n0.365738 0.417291 0.156670 W\n0.582280 0.950401 0.102982 W\n0.794128 0.468618 0.050406 W\n0.000000 0.000000 0.000000 W\n0.205872 0.531382 0.949594 W\n0.417720 0.049599 0.897018 W\n0.634262 0.582709 0.843330 W\n0.847622 0.101396 0.791228 W\n0.047484 0.635711 0.735079 W\n0.268387 0.650065 0.686290 O\n0.165479 0.394012 0.711752 O\n0.472955 0.189218 0.635229 O\n0.368669 0.920563 0.657624 O\n0.683790 0.711024 0.578804 O\n0.575683 0.444717 0.609564 O\n0.894679 0.236488 0.526110 O\n0.754759 0.163759 0.686575 O\n0.790067 0.973289 0.552380 O\n0.973206 0.684436 0.631860 O\n0.105321 0.763512 0.473890 O\n0.000000 0.500000 0.500000 O\n0.316210 0.288976 0.421196 O\n0.184035 0.210198 0.579205 O\n0.209933 0.026711 0.447620 O\n0.527045 0.810782 0.364771 O\n0.394706 0.737265 0.526171 O\n0.424317 0.555283 0.390436 O\n0.731613 0.349935 0.313710 O\n0.605294 0.262735 0.473829 O\n0.631331 0.079437 0.342376 O\n0.815965 0.789802 0.420795 O\n0.947067 0.869094 0.263153 O\n0.834521 0.605988 0.288248 O\n0.158052 0.393929 0.210570 O\n0.026794 0.315564 0.368140 O\n0.052536 0.131576 0.236849 O\n0.373328 0.913329 0.159985 O\n0.245241 0.836241 0.313425 O\n0.270913 0.656987 0.185437 O\n0.449725 0.375591 0.262446 O\n0.578075 0.451956 0.108728 O\n0.473782 0.184132 0.131292 O\n0.655477 0.887214 0.211320 O\n0.789175 0.974179 0.052476 O\n0.680712 0.707974 0.083048 O\n0.000000 0.500000 0.000000 O\n0.860213 0.426843 0.160149 O\n0.894905 0.237092 0.026157 O\n0.210825 0.025821 0.947524 O\n0.078557 0.947580 0.105461 O\n0.105095 0.762908 0.973843 O\n0.421925 0.548044 0.891272 O\n0.288548 0.473839 0.052760 O\n0.319288 0.292026 0.916952 O\n0.626672 0.086671 0.840015 O\n0.500000 0.000000 0.000000 O\n0.526218 0.815868 0.868708 O\n0.841948 0.606071 0.789430 O\n0.711452 0.526161 0.947240 O\n0.729087 0.343013 0.814563 O\n0.052933 0.130906 0.736847 O\n0.921443 0.052420 0.894539 O\n0.947464 0.868424 0.763151 O\n0.139787 0.573157 0.839851 O\n0.344523 0.112786 0.788680 O\n0.550275 0.624409 0.737554 O\n",
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"density_atomic": 0.06993517556088866,
"volume": 1115.3185700104484,
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"formula_full": "La2 W19 O57",
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"spacegroup": 2
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{
"id": "mp-675744",
"created_at": "2022-09-04T14:44:18.647530Z",
"structure_string": "Yb8 Zr6 O24\n1.0\n6.390339 0.000000 0.000000\n-1.157841 6.372182 0.000000\n-1.912684 -2.431047 12.498540\nYb Zr O\n8 6 24\ndirect\n0.390505 0.858911 0.100387 Yb\n0.294998 0.605361 0.817662 Yb\n0.287776 0.607173 0.317921 Yb\n0.861376 0.714556 0.447012 Yb\n0.705002 0.394639 0.182338 Yb\n0.138624 0.285444 0.552988 Yb\n0.609495 0.141089 0.899613 Yb\n0.712224 0.392827 0.682079 Yb\n0.996707 0.989273 0.249548 Zr\n0.377934 0.860355 0.606614 Zr\n0.003293 0.010727 0.750452 Zr\n0.856385 0.708807 0.942153 Zr\n0.143615 0.291193 0.057847 Zr\n0.622066 0.139645 0.393386 Zr\n0.322270 0.942641 0.774343 O\n0.035726 0.920751 0.087373 O\n0.323123 0.968174 0.290293 O\n0.577397 0.812899 0.959722 O\n0.070277 0.929597 0.594347 O\n0.938549 0.697364 0.790732 O\n0.553489 0.847805 0.469652 O\n0.155782 0.558586 0.972756 O\n0.398621 0.540898 0.156948 O\n0.940713 0.686627 0.278107 O\n0.190052 0.596430 0.481998 O\n0.601379 0.459102 0.843052 O\n0.421226 0.573192 0.650638 O\n0.844218 0.441414 0.027244 O\n0.061451 0.302636 0.209268 O\n0.578774 0.426808 0.349362 O\n0.809948 0.403570 0.518002 O\n0.422603 0.187101 0.040278 O\n0.059287 0.313373 0.721893 O\n0.964274 0.079249 0.912627 O\n0.446511 0.152195 0.530348 O\n0.677730 0.057359 0.225657 O\n0.929723 0.070403 0.405653 O\n0.676877 0.031826 0.709707 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:44:20.790348Z",
"structure_string": "Os1 S2 Cl12\n1.0\n6.533942 -5.352315 0.000000\n6.533942 5.352315 0.000000\n2.149563 0.000000 8.168174\nOs S Cl\n1 2 12\ndirect\n0.000000 0.000000 0.000000 Os\n0.208666 0.208666 0.208666 S\n0.791334 0.791334 0.791334 S\n0.835590 0.835590 0.540556 Cl\n0.874271 0.181916 0.181916 Cl\n0.181916 0.181916 0.874271 Cl\n0.181916 0.874271 0.181916 Cl\n0.818084 0.125729 0.818084 Cl\n0.125729 0.818084 0.818084 Cl\n0.818084 0.818084 0.125729 Cl\n0.459444 0.164410 0.164410 Cl\n0.164410 0.164410 0.459444 Cl\n0.164410 0.459444 0.164410 Cl\n0.835590 0.540556 0.835590 Cl\n0.540556 0.835590 0.835590 Cl\n",
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{
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"structure_string": "Nd2 O6\n1.0\n3.417162 -5.918699 0.000000\n3.417162 5.918699 0.000000\n0.000000 0.000000 3.580795\nNd O\n2 6\ndirect\n0.333333 0.666667 0.250000 Nd\n0.666667 0.333333 0.750000 Nd\n0.941559 0.567890 0.250000 O\n0.626331 0.058441 0.250000 O\n0.432110 0.373669 0.250000 O\n0.058441 0.432110 0.750000 O\n0.373669 0.941559 0.750000 O\n0.567890 0.626331 0.750000 O\n",
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{
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{
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{
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