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{
"id": "mp-978771",
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"structure_string": "Sm2 B4 Ru4\n1.0\n0.000000 4.539109 4.962582\n3.285455 0.000000 4.962582\n3.285455 4.539109 0.000000\nSm B Ru\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Sm\n0.250000 0.250000 0.250000 Sm\n0.684976 0.315024 0.684976 B\n0.315024 0.684976 0.315024 B\n0.934976 0.565024 0.934976 B\n0.565024 0.934976 0.565024 B\n0.612817 0.612817 0.887183 Ru\n0.637183 0.637183 0.362817 Ru\n0.362817 0.362817 0.637183 Ru\n0.887183 0.887183 0.612817 Ru\n",
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{
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"structure_string": "Rb4 Zr2 Mo6 O24\n1.0\n3.601107 9.817011 0.000000\n-3.601107 9.817011 0.000000\n0.000000 2.952457 10.511794\nRb Zr Mo O\n4 2 6 24\ndirect\n0.898862 0.933615 0.634010 Rb\n0.933615 0.898862 0.134010 Rb\n0.215201 0.274884 0.997989 Rb\n0.274884 0.215201 0.497989 Rb\n0.581264 0.579974 0.561106 Zr\n0.579974 0.581264 0.061106 Zr\n0.804335 0.618906 0.744291 Mo\n0.618906 0.804335 0.244291 Mo\n0.354249 0.539800 0.384060 Mo\n0.539800 0.354249 0.884060 Mo\n0.967010 0.198994 0.309118 Mo\n0.198994 0.967010 0.809118 Mo\n0.606387 0.878242 0.718761 O\n0.878242 0.606387 0.218761 O\n0.790655 0.522704 0.633578 O\n0.522704 0.790655 0.133578 O\n0.132001 0.184295 0.782188 O\n0.184295 0.132001 0.282188 O\n0.774024 0.551254 0.914826 O\n0.551254 0.774024 0.414826 O\n0.349256 0.829605 0.667714 O\n0.829605 0.349256 0.167714 O\n0.021642 0.552696 0.708100 O\n0.552696 0.021642 0.208100 O\n0.983741 0.031493 0.832390 O\n0.031493 0.983741 0.332390 O\n0.280865 0.537219 0.918118 O\n0.537219 0.280865 0.418118 O\n0.127688 0.624928 0.405110 O\n0.624928 0.127688 0.905110 O\n0.814335 0.335040 0.452685 O\n0.335040 0.814335 0.952685 O\n0.596827 0.403943 0.716509 O\n0.403943 0.596827 0.216509 O\n0.633592 0.368073 0.997447 O\n0.368073 0.633592 0.497447 O\n",
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},
{
"id": "mp-8998",
"created_at": "2022-09-04T14:45:22.682006Z",
"structure_string": "Ta2 Ni2 Te10\n1.0\n1.854954 -6.966595 0.000000\n1.854954 6.966595 0.000000\n0.000000 0.000000 15.254980\nTa Ni Te\n2 2 10\ndirect\n0.490257 0.509743 0.250000 Ta\n0.509743 0.490257 0.750000 Ta\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.599437 0.400563 0.575922 Te\n0.902508 0.097492 0.645725 Te\n0.400563 0.599437 0.424078 Te\n0.400563 0.599437 0.075922 Te\n0.599437 0.400563 0.924078 Te\n0.834947 0.165053 0.250000 Te\n0.097492 0.902508 0.145725 Te\n0.165053 0.834947 0.750000 Te\n0.902508 0.097492 0.854275 Te\n0.097492 0.902508 0.354275 Te\n",
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"elements": [
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],
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"density": 7.3926609575749,
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"volume": 394.2714647038008,
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"formula_full": "Ta2 Ni2 Te10",
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{
"id": "mp-1199115",
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"structure_string": "Fe8 H24 S12 O60\n1.0\n6.416681 0.000000 0.000000\n0.000000 11.360865 0.000000\n0.000000 3.424313 16.183674\nFe H S O\n8 24 12 60\ndirect\n0.257979 0.981685 0.117345 Fe\n0.757979 0.018315 0.382655 Fe\n0.742021 0.018315 0.882655 Fe\n0.242021 0.981685 0.617345 Fe\n0.770818 0.638295 0.092794 Fe\n0.270818 0.361705 0.407206 Fe\n0.229182 0.361705 0.907206 Fe\n0.729182 0.638295 0.592794 Fe\n0.226451 0.808824 0.252964 H\n0.726451 0.191176 0.247036 H\n0.773549 0.191176 0.747036 H\n0.273549 0.808824 0.752964 H\n0.170632 0.932507 0.283378 H\n0.670632 0.067493 0.216622 H\n0.829368 0.067493 0.716622 H\n0.329368 0.932507 0.783378 H\n0.662740 0.409770 0.089829 H\n0.162740 0.590230 0.410171 H\n0.337260 0.590230 0.910171 H\n0.837260 0.409770 0.589829 H\n0.912126 0.419517 0.098980 H\n0.412126 0.580483 0.401020 H\n0.087874 0.580483 0.901020 H\n0.587874 0.419517 0.598980 H\n0.764982 0.483704 0.240131 H\n0.264982 0.516296 0.259869 H\n0.235018 0.516296 0.759869 H\n0.735018 0.483704 0.740131 H\n0.714687 0.615025 0.259343 H\n0.214687 0.384975 0.240657 H\n0.285313 0.384975 0.740657 H\n0.785313 0.615025 0.759343 H\n0.751631 0.929743 0.090012 S\n0.251631 0.070257 0.409988 S\n0.248369 0.070257 0.909988 S\n0.748369 0.929743 0.590012 S\n0.271526 0.687641 0.121220 S\n0.771526 0.312359 0.378780 S\n0.728474 0.312359 0.878780 S\n0.228474 0.687641 0.621220 S\n0.722040 0.730907 0.885689 S\n0.222040 0.269093 0.614311 S\n0.277960 0.269093 0.114311 S\n0.777960 0.730907 0.385689 S\n0.777093 0.800295 0.128511 O\n0.277093 0.199705 0.371489 O\n0.222907 0.199705 0.871489 O\n0.722907 0.800295 0.628511 O\n0.695900 0.942370 0.002073 O\n0.195900 0.057630 0.497927 O\n0.304100 0.057630 0.997927 O\n0.804100 0.942370 0.502073 O\n0.581535 0.981486 0.134152 O\n0.081535 0.018514 0.365848 O\n0.418465 0.018514 0.865848 O\n0.918465 0.981486 0.634152 O\n0.943015 0.997358 0.100233 O\n0.443015 0.002642 0.399767 O\n0.056985 0.002642 0.899767 O\n0.556985 0.997358 0.600233 O\n0.265797 0.820555 0.086390 O\n0.765797 0.179445 0.413610 O\n0.734203 0.179445 0.913610 O\n0.234203 0.820555 0.586390 O\n0.087429 0.630784 0.090700 O\n0.587429 0.369216 0.409300 O\n0.912571 0.369216 0.909300 O\n0.412571 0.630784 0.590700 O\n0.456052 0.636240 0.085876 O\n0.956052 0.363760 0.414124 O\n0.543948 0.363760 0.914124 O\n0.043948 0.636240 0.585876 O\n0.278035 0.664983 0.212061 O\n0.778035 0.335017 0.287939 O\n0.721965 0.335017 0.787939 O\n0.221965 0.664983 0.712061 O\n0.748487 0.863732 0.848090 O\n0.248487 0.136268 0.651910 O\n0.251513 0.136268 0.151910 O\n0.751513 0.863732 0.348090 O\n0.789394 0.712168 0.974045 O\n0.289394 0.287832 0.525955 O\n0.210606 0.287832 0.025955 O\n0.710606 0.712168 0.474045 O\n0.867818 0.663956 0.842572 O\n0.367818 0.336044 0.657428 O\n0.132182 0.336044 0.157428 O\n0.632182 0.663956 0.342572 O\n0.503648 0.699562 0.877084 O\n0.003648 0.300438 0.622916 O\n0.496352 0.300438 0.122916 O\n0.996352 0.699562 0.377084 O\n0.228344 0.897619 0.238367 O\n0.728344 0.102381 0.261633 O\n0.771656 0.102381 0.761633 O\n0.271656 0.897619 0.738367 O\n0.785192 0.465693 0.077831 O\n0.285192 0.534307 0.422169 O\n0.214808 0.534307 0.922169 O\n0.714808 0.465693 0.577831 O\n0.765531 0.571773 0.216147 O\n0.265531 0.428227 0.283853 O\n0.234469 0.428227 0.783853 O\n0.734469 0.571773 0.716147 O\n",
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{
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"structure_string": "Ni2 H20 Se4 O20\n1.0\n3.849912 7.256606 0.000000\n-3.849912 7.256606 0.000000\n0.000000 6.562919 8.791311\nNi H Se O\n2 20 4 20\ndirect\n0.034147 0.965853 0.250000 Ni\n0.965853 0.034147 0.750000 Ni\n0.952443 0.416593 0.768286 H\n0.583407 0.047557 0.731714 H\n0.047557 0.583407 0.231714 H\n0.416593 0.952443 0.268286 H\n0.629764 0.249116 0.333934 H\n0.750884 0.370236 0.166066 H\n0.370236 0.750884 0.666066 H\n0.249116 0.629764 0.833934 H\n0.318356 0.569414 0.336942 H\n0.430586 0.681644 0.163058 H\n0.681644 0.430586 0.663058 H\n0.569414 0.318356 0.836942 H\n0.293592 0.263195 0.474976 H\n0.736805 0.706408 0.025024 H\n0.706408 0.736805 0.525024 H\n0.263195 0.293592 0.974976 H\n0.397635 0.262447 0.562527 H\n0.737553 0.602365 0.937473 H\n0.602365 0.737553 0.437473 H\n0.262447 0.397635 0.062527 H\n0.989361 0.744793 0.606948 Se\n0.255207 0.010639 0.893052 Se\n0.010639 0.255207 0.393052 Se\n0.744793 0.989361 0.106948 Se\n0.940792 0.837889 0.183686 O\n0.162111 0.059208 0.316314 O\n0.059208 0.162110 0.816314 O\n0.837889 0.940792 0.683686 O\n0.883975 0.826878 0.476184 O\n0.173122 0.116025 0.023816 O\n0.116025 0.173122 0.523816 O\n0.826878 0.883975 0.976184 O\n0.861710 0.568944 0.761337 O\n0.431056 0.138290 0.738663 O\n0.138290 0.431056 0.238663 O\n0.568944 0.861710 0.261337 O\n0.766610 0.233390 0.250000 O\n0.233390 0.766610 0.750000 O\n0.298745 0.701255 0.250000 O\n0.701255 0.298745 0.750000 O\n0.384856 0.320186 0.460919 O\n0.679814 0.615144 0.039081 O\n0.615144 0.679814 0.539081 O\n0.320186 0.384856 0.960919 O\n",
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{
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{
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