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{
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{
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{
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"structure_string": "Na6 Sc4 P6 O24\n1.0\n2.588945 7.345712 4.496500\n2.588945 7.345712 -4.496500\n-5.570767 7.301311 0.000000\nNa Sc P O\n6 4 6 24\ndirect\n0.893331 0.107139 0.749641 Na\n0.107139 0.893331 0.249641 Na\n0.198781 0.440736 0.588079 Na\n0.440736 0.198781 0.088079 Na\n0.840838 0.541586 0.442147 Na\n0.541586 0.840838 0.942147 Na\n0.847461 0.354598 0.946757 Sc\n0.354598 0.847461 0.446757 Sc\n0.151678 0.649776 0.051594 Sc\n0.649776 0.151678 0.551594 Sc\n0.969073 0.748968 0.738578 P\n0.748968 0.969073 0.238578 P\n0.545946 0.455026 0.748060 P\n0.455026 0.545946 0.248060 P\n0.031751 0.251893 0.261218 P\n0.251893 0.031751 0.761218 P\n0.015537 0.750266 0.879547 O\n0.750266 0.015537 0.379547 O\n0.939328 0.572848 0.789747 O\n0.572848 0.939328 0.289747 O\n0.273530 0.566712 0.245506 O\n0.566712 0.273530 0.745506 O\n0.515960 0.611021 0.580020 O\n0.611021 0.515960 0.080020 O\n0.981926 0.252740 0.121306 O\n0.252740 0.981926 0.621306 O\n0.207480 0.083756 0.279649 O\n0.083756 0.207480 0.779649 O\n0.727740 0.428444 0.755622 O\n0.428444 0.727740 0.255622 O\n0.876639 0.238949 0.437771 O\n0.238949 0.876639 0.937771 O\n0.792412 0.914666 0.720111 O\n0.914666 0.792412 0.220111 O\n0.069495 0.423884 0.208053 O\n0.423884 0.069495 0.708053 O\n0.125632 0.763037 0.563069 O\n0.763037 0.125632 0.063069 O\n0.494526 0.387494 0.411625 O\n0.387494 0.494526 0.911625 O\n",
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{
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"created_at": "2022-09-04T14:48:09.189877Z",
"structure_string": "Tl4 Fe4 Br12\n1.0\n3.984787 0.000000 0.000000\n0.000000 9.428482 0.000000\n0.000000 0.000000 15.382907\nTl Fe Br\n4 4 12\ndirect\n0.750000 0.057243 0.672533 Tl\n0.250000 0.942757 0.327467 Tl\n0.750000 0.557243 0.827467 Tl\n0.250000 0.442757 0.172533 Tl\n0.750000 0.343078 0.446438 Fe\n0.250000 0.656922 0.553562 Fe\n0.750000 0.843078 0.053562 Fe\n0.250000 0.156922 0.946438 Fe\n0.750000 0.319712 0.002196 Br\n0.250000 0.680288 0.997804 Br\n0.750000 0.819712 0.497804 Br\n0.250000 0.180288 0.502196 Br\n0.750000 0.227722 0.296893 Br\n0.250000 0.772278 0.703107 Br\n0.750000 0.727722 0.203107 Br\n0.250000 0.272278 0.796893 Br\n0.750000 0.478487 0.598134 Br\n0.250000 0.521513 0.401866 Br\n0.750000 0.978487 0.901866 Br\n0.250000 0.021513 0.098134 Br\n",
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{
"id": "mp-1233768",
"created_at": "2022-09-04T14:48:09.199320Z",
"structure_string": "Mg1 Zn2 P4 H16 O20\n1.0\n-0.044522 0.117257 -7.074028\n2.006687 -7.119109 0.880974\n-9.018119 0.292883 2.299623\nMg Zn P H O\n1 2 4 16 20\ndirect\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Zn\n0.246099 0.632437 0.913372 P\n0.753901 0.367563 0.086628 P\n0.357617 0.422605 0.148498 P\n0.642383 0.577395 0.851502 P\n0.086863 0.198238 0.825851 H\n0.913137 0.801762 0.174149 H\n0.222606 0.045145 0.812482 H\n0.777394 0.954855 0.187518 H\n0.326943 0.812766 0.593066 H\n0.673057 0.187234 0.406934 H\n0.311127 0.677193 0.422102 H\n0.688873 0.322807 0.577898 H\n0.210979 0.284232 0.356162 H\n0.789021 0.715768 0.643838 H\n0.311769 0.346277 0.543056 H\n0.688231 0.653723 0.456944 H\n0.452642 0.129162 0.714994 H\n0.547358 0.870838 0.285006 H\n0.561326 0.041940 0.837211 H\n0.438674 0.958060 0.162789 H\n0.218918 0.472914 0.003346 O\n0.781082 0.527086 0.996654 O\n0.482663 0.666619 0.931330 O\n0.517337 0.333381 0.068670 O\n0.217066 0.819184 0.009001 O\n0.782934 0.180816 0.990999 O\n0.123386 0.542272 0.748652 O\n0.876614 0.457728 0.251348 O\n0.455157 0.599020 0.284774 O\n0.544843 0.400980 0.715226 O\n0.230964 0.258627 0.172031 O\n0.769036 0.741373 0.827969 O\n0.087134 0.064977 0.821653 O\n0.912866 0.935023 0.178347 O\n0.236304 0.712522 0.498966 O\n0.763696 0.287478 0.501034 O\n0.183456 0.303376 0.459424 O\n0.816544 0.696624 0.540576 O\n0.435091 0.017722 0.752935 O\n0.564909 0.982278 0.247064 O\n",
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"formula_full": "Mg1 Zn2 P4 H16 O20",
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{
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"structure_string": "Nd8 Se12 O36\n1.0\n7.062884 0.000000 0.000000\n0.000000 8.423162 0.000000\n0.000000 0.000000 14.322579\nNd Se O\n8 12 36\ndirect\n0.320198 0.301274 0.063064 Nd\n0.679802 0.698726 0.936936 Nd\n0.820198 0.198726 0.936936 Nd\n0.679802 0.698726 0.563064 Nd\n0.179802 0.801274 0.063064 Nd\n0.320198 0.301274 0.436936 Nd\n0.179802 0.801274 0.436936 Nd\n0.820198 0.198726 0.563064 Nd\n0.091944 0.045453 0.250000 Se\n0.908056 0.954547 0.750000 Se\n0.591944 0.454547 0.750000 Se\n0.408056 0.545453 0.250000 Se\n0.321408 0.047590 0.624470 Se\n0.678592 0.952410 0.375530 Se\n0.821408 0.452410 0.375530 Se\n0.678592 0.952410 0.124470 Se\n0.178592 0.547590 0.624470 Se\n0.321408 0.047590 0.875530 Se\n0.178592 0.547590 0.875530 Se\n0.821408 0.452410 0.124470 Se\n0.434574 0.342818 0.250000 O\n0.565426 0.657182 0.750000 O\n0.934574 0.157182 0.750000 O\n0.065426 0.842818 0.250000 O\n0.471093 0.201980 0.594620 O\n0.528907 0.798020 0.405380 O\n0.971093 0.298020 0.405380 O\n0.528907 0.798020 0.094620 O\n0.028907 0.701980 0.594620 O\n0.471093 0.201980 0.905380 O\n0.028907 0.701980 0.905380 O\n0.971093 0.298020 0.094620 O\n0.589885 0.122751 0.076742 O\n0.410115 0.877249 0.923258 O\n0.089885 0.377249 0.923258 O\n0.410115 0.877249 0.576742 O\n0.910115 0.622751 0.076742 O\n0.589885 0.122751 0.423258 O\n0.910115 0.622751 0.423258 O\n0.089885 0.377249 0.576742 O\n0.239518 0.057488 0.153346 O\n0.760482 0.942512 0.846654 O\n0.739518 0.442512 0.846654 O\n0.760482 0.942512 0.653346 O\n0.260482 0.557488 0.153346 O\n0.239518 0.057488 0.346654 O\n0.260482 0.557488 0.346654 O\n0.739518 0.442512 0.653346 O\n0.148502 0.072393 0.538259 O\n0.851498 0.927607 0.461741 O\n0.648502 0.427607 0.461741 O\n0.851498 0.927607 0.038259 O\n0.351498 0.572393 0.538259 O\n0.148502 0.072393 0.961741 O\n0.351498 0.572393 0.961741 O\n0.648502 0.427607 0.038259 O\n",
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{
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{
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"structure_string": "Li4 Yb4 F8\n1.0\n-3.230844 3.230844 5.951548\n3.230844 -3.230844 5.951548\n3.230844 3.230844 -5.951548\nLi Yb F\n4 4 8\ndirect\n0.375000 0.125000 0.250000 Li\n0.875000 0.125000 0.750000 Li\n0.875000 0.125000 0.250000 Li\n0.875000 0.625000 0.750000 Li\n0.875000 0.625000 0.250000 Yb\n0.375000 0.625000 0.750000 Yb\n0.375000 0.625000 0.250000 Yb\n0.375000 0.125000 0.750000 Yb\n0.179293 0.449767 0.270474 F\n0.179293 0.908820 0.729526 F\n0.199767 0.429293 0.770474 F\n0.570707 0.800233 0.229526 F\n0.658820 0.429293 0.229526 F\n0.570707 0.341180 0.770474 F\n0.550233 0.820707 0.729526 F\n0.091180 0.820707 0.270474 F\n",
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{
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