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{
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{
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"structure_string": "Mg14 Zr1 Co1\n1.0\n6.302695 0.000000 0.000000\n-3.151348 5.458294 -0.000000\n0.000000 -0.000000 10.027871\nMg Zr Co\n14 1 1\ndirect\n0.177085 0.838542 0.125000 Mg\n0.161909 0.830954 0.625000 Mg\n0.661458 0.322915 0.125000 Mg\n0.669046 0.338091 0.625000 Mg\n0.661458 0.838542 0.125000 Mg\n0.669046 0.830954 0.625000 Mg\n0.324589 0.175411 0.388511 Mg\n0.324589 0.175411 0.861489 Mg\n0.324589 0.649179 0.388511 Mg\n0.324589 0.649179 0.861489 Mg\n0.850821 0.175411 0.388511 Mg\n0.850821 0.175411 0.861489 Mg\n0.833333 0.666667 0.365559 Mg\n0.833333 0.666667 0.884441 Mg\n0.166667 0.333333 0.125000 Zr\n0.166667 0.333333 0.625000 Co\n",
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"formula_full": "Mg14 Zr1 Co1",
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{
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"structure_string": "Ce1 Mn1 In1\n1.0\n0.000000 0.000000 -3.334860\n-2.461998 -4.262950 0.000000\n-2.458742 4.261087 0.000000\nCe Mn In\n1 1 1\ndirect\n0.000000 0.999872 0.000617 Ce\n0.500000 0.333565 0.665951 Mn\n0.500000 0.666463 0.333432 In\n",
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{
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"structure_string": "K4 W2 Cl10 O1\n1.0\n-3.675001 3.675001 9.019499\n3.675001 -3.675001 9.019499\n3.675001 3.675001 -9.019499\nK W Cl O\n4 2 10 1\ndirect\n0.250000 0.750000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.106588 0.106588 0.000000 W\n0.893412 0.893412 0.000000 W\n0.650545 0.125601 0.000000 Cl\n0.349455 0.349455 0.475056 Cl\n0.757938 0.757938 0.000000 Cl\n0.242062 0.242062 0.000000 Cl\n0.125601 0.650545 0.000000 Cl\n0.874399 0.349455 0.000000 Cl\n0.650545 0.650545 0.524944 Cl\n0.874399 0.874399 0.524944 Cl\n0.125601 0.125601 0.475056 Cl\n0.349455 0.874399 0.000000 Cl\n0.000000 0.000000 0.000000 O\n",
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{
"id": "mp-1180198",
"created_at": "2022-09-04T14:45:05.939435Z",
"structure_string": "Mn2 H8 C4 O12\n1.0\n2.865743 5.534276 0.000000\n-2.865743 5.534276 0.000000\n0.000000 4.758003 7.998898\nMn H C O\n2 8 4 12\ndirect\n0.188803 0.811197 0.750000 Mn\n0.811197 0.188803 0.250000 Mn\n0.305952 0.052908 0.862957 H\n0.947092 0.694048 0.637043 H\n0.694048 0.947092 0.137043 H\n0.052908 0.305952 0.362957 H\n0.338326 0.198990 0.667775 H\n0.801010 0.661674 0.832225 H\n0.661674 0.801010 0.332225 H\n0.198990 0.338326 0.167775 H\n0.636547 0.263796 0.847154 C\n0.736204 0.363453 0.652846 C\n0.363453 0.736204 0.152846 C\n0.263796 0.636547 0.347154 C\n0.401861 0.421382 0.918424 O\n0.578618 0.598139 0.581576 O\n0.598139 0.578618 0.081576 O\n0.421382 0.401861 0.418424 O\n0.799052 0.031202 0.919327 O\n0.968798 0.200948 0.580673 O\n0.200948 0.968798 0.080673 O\n0.031202 0.799052 0.419327 O\n0.978206 0.622226 0.749412 O\n0.377774 0.021794 0.750588 O\n0.021794 0.377774 0.250588 O\n0.622226 0.978206 0.249412 O\n",
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],
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{
"id": "mp-776583",
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"structure_string": "V18 O44\n1.0\n5.611396 0.000000 0.000000\n-0.063221 9.711550 0.000000\n-0.048605 -0.057629 13.977139\nV O\n18 44\ndirect\n0.972002 0.006987 0.143239 V\n0.518493 0.019171 0.509001 V\n0.502190 0.167918 0.782386 V\n0.242966 0.224572 0.990565 V\n0.214290 0.278966 0.482058 V\n0.009740 0.333705 0.213242 V\n0.509144 0.495015 0.135544 V\n0.504663 0.486251 0.637340 V\n0.475393 0.503304 0.355751 V\n0.967640 0.507244 0.983613 V\n0.480382 0.521005 0.855493 V\n0.985096 0.665796 0.721165 V\n0.754996 0.721144 0.501808 V\n0.279877 0.771231 0.021934 V\n0.514678 0.832441 0.287584 V\n0.989531 0.972802 0.860136 V\n0.002717 0.993251 0.362893 V\n0.023043 0.014374 0.641937 V\n0.759147 0.071194 0.417218 O\n0.753880 0.072302 0.085437 O\n0.237602 0.078890 0.745988 O\n0.765502 0.082550 0.749680 O\n0.257914 0.086220 0.425828 O\n0.232352 0.098481 0.079985 O\n0.511237 0.161948 0.571989 O\n0.014434 0.156558 0.245082 O\n0.025040 0.156898 0.916979 O\n0.018228 0.160933 0.579439 O\n0.486155 0.172123 0.907855 O\n0.004551 0.327550 0.409773 O\n0.484242 0.344949 0.077565 O\n0.475784 0.339180 0.412687 O\n0.020960 0.336107 0.088144 O\n0.485693 0.341575 0.751854 O\n0.230332 0.409781 0.930338 O\n0.250243 0.406390 0.575332 O\n0.747164 0.417428 0.241366 O\n0.730368 0.410432 0.589632 O\n0.744633 0.427753 0.918033 O\n0.278852 0.426760 0.245551 O\n0.239253 0.572621 0.751864 O\n0.758428 0.568383 0.083732 O\n0.712831 0.579479 0.751195 O\n0.264429 0.582288 0.410144 O\n0.261004 0.590714 0.079865 O\n0.743341 0.589363 0.417114 O\n0.513824 0.658689 0.252923 O\n0.000096 0.657985 0.928884 O\n0.515119 0.652814 0.582476 O\n0.467758 0.665686 0.921134 O\n0.986393 0.672139 0.599189 O\n0.496821 0.831523 0.086623 O\n0.002213 0.844307 0.421994 O\n0.028887 0.843793 0.087372 O\n0.524676 0.834840 0.413308 O\n0.991728 0.847349 0.748846 O\n0.231428 0.900702 0.920255 O\n0.747467 0.919188 0.574215 O\n0.758398 0.917953 0.915622 O\n0.790488 0.923717 0.254922 O\n0.252541 0.934521 0.582533 O\n0.258695 0.922329 0.262653 O\n",
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{
"id": "mp-1034123",
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"structure_string": "Rb1 Mg14 Ti1 O16\n1.0\n8.708651 0.000000 0.000000\n0.000000 8.645800 0.000000\n0.000000 -0.000000 4.469522\nRb Mg Ti O\n1 14 1 16\ndirect\n-0.000000 0.500000 0.000000 Rb\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n-0.000000 0.252981 0.500000 Mg\n-0.000000 0.747019 0.500000 Mg\n0.500000 0.250792 0.500000 Mg\n0.500000 0.749208 0.500000 Mg\n0.252243 0.000000 0.500000 Mg\n0.254822 0.500000 0.500000 Mg\n0.747757 0.000000 0.500000 Mg\n0.745178 0.500000 0.500000 Mg\n0.258990 0.251540 -0.000000 Mg\n0.258990 0.748460 -0.000000 Mg\n0.741010 0.251540 0.000000 Mg\n0.741010 0.748460 0.000000 Mg\n-0.000000 0.000000 0.000000 Ti\n0.252329 0.000000 0.000000 O\n0.280591 0.500000 0.000000 O\n0.747671 0.000000 0.000000 O\n0.719409 0.500000 0.000000 O\n0.248819 0.248988 0.500000 O\n0.248819 0.751012 0.500000 O\n0.751181 0.248988 0.500000 O\n0.751181 0.751012 0.500000 O\n-0.000000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.218047 -0.000000 O\n-0.000000 0.781953 0.000000 O\n0.500000 0.241577 0.000000 O\n0.500000 0.758423 0.000000 O\n",
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{
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{
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{
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{
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{
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"structure_string": "Zn4 Fe8 O16\n1.0\n2.949956 0.000000 0.000000\n0.000000 9.736397 0.000000\n0.000000 0.000000 10.069874\nZn Fe O\n4 8 16\ndirect\n0.198997 0.361647 0.250000 Zn\n0.198997 0.138353 0.750000 Zn\n0.801003 0.861647 0.250000 Zn\n0.801003 0.638353 0.750000 Zn\n0.736248 0.118426 0.425820 Fe\n0.736248 0.381574 0.925820 Fe\n0.263752 0.881574 0.925820 Fe\n0.736248 0.381574 0.574180 Fe\n0.263752 0.881574 0.574180 Fe\n0.736248 0.118426 0.074180 Fe\n0.263752 0.618426 0.074180 Fe\n0.263752 0.618426 0.425820 Fe\n0.239175 0.980400 0.113225 O\n0.760825 0.019600 0.886775 O\n0.235081 0.250000 0.000000 O\n0.760825 0.480400 0.113225 O\n0.760825 0.480400 0.386775 O\n0.706152 0.285159 0.750000 O\n0.239175 0.519600 0.886775 O\n0.293848 0.785159 0.750000 O\n0.235081 0.250000 0.500000 O\n0.764919 0.750000 0.000000 O\n0.239175 0.980400 0.386775 O\n0.293848 0.714841 0.250000 O\n0.706152 0.214841 0.250000 O\n0.764919 0.750000 0.500000 O\n0.239175 0.519600 0.613225 O\n0.760825 0.019600 0.613225 O\n",
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]
}