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{
"id": "mp-1238445",
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"structure_string": "Be8 H64 N16 F32\n1.0\n6.024078 0.000000 0.000000\n0.000000 10.620938 0.000000\n0.000000 0.000000 15.083981\nBe H N F\n8 64 16 32\ndirect\n0.251068 0.079408 0.996661 Be\n0.748932 0.579408 0.003339 Be\n0.751068 0.579408 0.503339 Be\n0.248932 0.079408 0.496661 Be\n0.247573 0.418768 0.250402 Be\n0.752427 0.918768 0.749598 Be\n0.747573 0.918768 0.249598 Be\n0.252427 0.418768 0.750402 Be\n0.227472 0.373594 0.035404 H\n0.772528 0.873594 0.964596 H\n0.727472 0.873594 0.464596 H\n0.272528 0.373594 0.535404 H\n0.212319 0.334366 0.924934 H\n0.787681 0.834366 0.075066 H\n0.712319 0.834366 0.575066 H\n0.287681 0.334366 0.424934 H\n0.401826 0.438455 0.961314 H\n0.598174 0.938455 0.038686 H\n0.901826 0.938455 0.538686 H\n0.098174 0.438455 0.461314 H\n0.131631 0.477993 0.959081 H\n0.868369 0.977993 0.040919 H\n0.631631 0.977993 0.540919 H\n0.368369 0.477993 0.459081 H\n0.263241 0.790372 0.115445 H\n0.736759 0.290372 0.884555 H\n0.763241 0.290372 0.384555 H\n0.236759 0.790372 0.615445 H\n0.280720 0.644925 0.160233 H\n0.719280 0.144925 0.839767 H\n0.780720 0.144925 0.339767 H\n0.219280 0.644925 0.660233 H\n0.371599 0.673208 0.053044 H\n0.628401 0.173208 0.946956 H\n0.871599 0.173208 0.446956 H\n0.128401 0.673208 0.553044 H\n0.099820 0.674848 0.077645 H\n0.900180 0.174848 0.922355 H\n0.599820 0.174848 0.422355 H\n0.400180 0.674848 0.577645 H\n0.237345 0.122424 0.286073 H\n0.762655 0.622424 0.713927 H\n0.737345 0.622424 0.213927 H\n0.262655 0.122424 0.786073 H\n0.225348 0.179209 0.179625 H\n0.774652 0.679209 0.820375 H\n0.725348 0.679209 0.320375 H\n0.274652 0.179209 0.679625 H\n0.413334 0.069376 0.208012 H\n0.586666 0.569376 0.791988 H\n0.913334 0.569376 0.291988 H\n0.086666 0.069376 0.708012 H\n0.143605 0.030396 0.201813 H\n0.856395 0.530396 0.798187 H\n0.643605 0.530396 0.298187 H\n0.356395 0.030396 0.701813 H\n0.265452 0.711664 0.362398 H\n0.734548 0.211664 0.637602 H\n0.765452 0.211664 0.137602 H\n0.234548 0.711664 0.862398 H\n0.279562 0.857327 0.407114 H\n0.720438 0.357327 0.592886 H\n0.779562 0.357327 0.092886 H\n0.220438 0.857327 0.907114 H\n0.359264 0.830643 0.298309 H\n0.640736 0.330643 0.701691 H\n0.859264 0.330643 0.201691 H\n0.140736 0.830643 0.798309 H\n0.089751 0.824384 0.328642 H\n0.910249 0.324384 0.671358 H\n0.589751 0.324384 0.171358 H\n0.410249 0.824384 0.828642 H\n0.242675 0.404789 0.970315 N\n0.757325 0.904789 0.029685 N\n0.742675 0.904789 0.529685 N\n0.257325 0.404789 0.470315 N\n0.255139 0.695897 0.101808 N\n0.744861 0.195897 0.898192 N\n0.755139 0.195897 0.398192 N\n0.244861 0.695897 0.601808 N\n0.253710 0.101088 0.218649 N\n0.746290 0.601088 0.781351 N\n0.753710 0.601088 0.281351 N\n0.246290 0.101088 0.718649 N\n0.250248 0.806195 0.349245 N\n0.749752 0.306195 0.650755 N\n0.750248 0.306195 0.150755 N\n0.249752 0.806195 0.849245 N\n0.245167 0.126336 0.897841 F\n0.754833 0.626336 0.102159 F\n0.745167 0.626336 0.602159 F\n0.254833 0.126336 0.397841 F\n0.246352 0.931646 0.003239 F\n0.753648 0.431646 0.996761 F\n0.746352 0.431646 0.496761 F\n0.253648 0.931646 0.503239 F\n0.471683 0.126517 0.039464 F\n0.528317 0.626517 0.960536 F\n0.971683 0.626517 0.460536 F\n0.028317 0.126517 0.539464 F\n0.035989 0.129346 0.042980 F\n0.964011 0.629346 0.957020 F\n0.535989 0.629346 0.457020 F\n0.464011 0.129346 0.542980 F\n0.252019 0.368413 0.151642 F\n0.747981 0.868413 0.848358 F\n0.752019 0.868413 0.348358 F\n0.247981 0.368413 0.651642 F\n0.256110 0.566541 0.255845 F\n0.743890 0.066541 0.744155 F\n0.756110 0.066541 0.244155 F\n0.243890 0.566541 0.755845 F\n0.023179 0.374592 0.292496 F\n0.976821 0.874592 0.707504 F\n0.523179 0.874592 0.207504 F\n0.476821 0.374592 0.792496 F\n0.457199 0.366582 0.297920 F\n0.542801 0.866582 0.702080 F\n0.957199 0.866582 0.202080 F\n0.042801 0.366582 0.797920 F\n",
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"formula_full": "Be8 H64 N16 F32",
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{
"id": "mp-531975",
"created_at": "2022-09-04T14:41:25.079676Z",
"structure_string": "Zr6 Bi20 Br36\n1.0\n7.454642 -12.911818 0.000000\n7.454642 12.911818 0.000000\n0.000000 0.000000 11.656884\nZr Bi Br\n6 20 36\ndirect\n0.230474 0.894917 0.242838 Zr\n0.105083 0.335556 0.242838 Zr\n0.335556 0.230474 0.742838 Zr\n0.664444 0.769526 0.242838 Zr\n0.894917 0.664444 0.742838 Zr\n0.769526 0.105083 0.742838 Zr\n0.124714 0.524971 0.745287 Bi\n0.239784 0.714957 0.569909 Bi\n0.236435 0.712265 0.913503 Bi\n0.400257 0.875286 0.745287 Bi\n0.287735 0.524169 0.913503 Bi\n0.285043 0.524827 0.569909 Bi\n0.475173 0.760216 0.569909 Bi\n0.475831 0.763565 0.913503 Bi\n0.475029 0.599743 0.745287 Bi\n0.524971 0.400257 0.245287 Bi\n0.524827 0.239784 0.069909 Bi\n0.524169 0.236435 0.413503 Bi\n0.712265 0.475831 0.413503 Bi\n0.714957 0.475173 0.069909 Bi\n0.000000 0.000000 0.387371 Bi\n0.000000 0.000000 0.887371 Bi\n0.599743 0.124714 0.245287 Bi\n0.760216 0.285043 0.069909 Bi\n0.763565 0.287735 0.413503 Bi\n0.875286 0.475029 0.245287 Bi\n0.080521 0.861782 0.403523 Br\n0.092284 0.840499 0.087938 Br\n0.092453 0.806265 0.741692 Br\n0.070865 0.446928 0.090514 Br\n0.059532 0.424741 0.422684 Br\n0.182108 0.701926 0.281454 Br\n0.365209 0.940468 0.422684 Br\n0.376063 0.929135 0.090514 Br\n0.159501 0.251785 0.087938 Br\n0.138218 0.218738 0.403523 Br\n0.193735 0.286188 0.741692 Br\n0.298074 0.480182 0.281454 Br\n0.519818 0.817892 0.281454 Br\n0.251785 0.092284 0.587938 Br\n0.218738 0.080521 0.903523 Br\n0.286188 0.092453 0.241692 Br\n0.446928 0.376063 0.590514 Br\n0.424741 0.365209 0.922684 Br\n0.553072 0.623937 0.090514 Br\n0.575259 0.634791 0.422684 Br\n0.713812 0.907547 0.741692 Br\n0.748215 0.907716 0.087938 Br\n0.781262 0.919479 0.403523 Br\n0.480182 0.182108 0.781454 Br\n0.701926 0.519818 0.781454 Br\n0.806265 0.713812 0.241692 Br\n0.840499 0.748215 0.587938 Br\n0.861782 0.781262 0.903523 Br\n0.634791 0.059532 0.922684 Br\n0.623937 0.070865 0.590514 Br\n0.817892 0.298074 0.781454 Br\n0.929135 0.553072 0.590514 Br\n0.940468 0.575259 0.922684 Br\n0.907547 0.193735 0.241692 Br\n0.919479 0.138218 0.903523 Br\n0.907716 0.159501 0.587938 Br\n",
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"volume": 2244.0196627274267,
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"formula_full": "Zr6 Bi20 Br36",
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{
"id": "mp-1038485",
"created_at": "2022-09-04T14:41:25.088901Z",
"structure_string": "Hf1 Mg30 B1 O31\n1.0\n8.516808 0.000000 0.000000\n0.000000 8.605053 0.000000\n0.000000 0.000000 8.664753\nHf Mg B O\n1 30 1 31\ndirect\n0.991432 0.000000 0.500000 Hf\n0.992132 0.500000 0.000000 Mg\n0.997042 0.500000 0.500000 Mg\n0.491959 0.000000 0.000000 Mg\n0.501087 0.000000 0.500000 Mg\n0.499418 0.500000 0.000000 Mg\n0.498865 0.500000 0.500000 Mg\n0.997941 0.248114 0.233901 Mg\n0.997941 0.248114 0.766099 Mg\n0.997941 0.751886 0.233901 Mg\n0.997941 0.751886 0.766099 Mg\n0.497013 0.250153 0.247232 Mg\n0.497013 0.250153 0.752768 Mg\n0.497013 0.749847 0.247232 Mg\n0.497013 0.749847 0.752768 Mg\n0.250450 0.000000 0.255467 Mg\n0.250450 0.000000 0.744533 Mg\n0.246628 0.500000 0.251219 Mg\n0.246628 0.500000 0.748781 Mg\n0.746018 0.000000 0.234037 Mg\n0.746018 0.000000 0.765963 Mg\n0.748345 0.500000 0.246677 Mg\n0.748345 0.500000 0.753323 Mg\n0.243352 0.261599 0.000000 Mg\n0.252102 0.258626 0.500000 Mg\n0.243352 0.738401 0.000000 Mg\n0.252102 0.741374 0.500000 Mg\n0.749896 0.244951 0.000000 Mg\n0.742198 0.256675 0.500000 Mg\n0.749896 0.755049 0.000000 Mg\n0.742198 0.743325 0.500000 Mg\n0.215788 0.000000 0.000000 B\n0.243208 0.000000 0.500000 O\n0.250048 0.500000 0.000000 O\n0.247502 0.500000 0.500000 O\n0.727245 0.000000 0.000000 O\n0.748603 0.000000 0.500000 O\n0.742797 0.500000 0.000000 O\n0.748156 0.500000 0.500000 O\n0.246547 0.253137 0.256426 O\n0.246547 0.253137 0.743574 O\n0.246547 0.746863 0.256426 O\n0.246547 0.746863 0.743574 O\n0.747699 0.248379 0.251100 O\n0.747699 0.248379 0.748900 O\n0.747699 0.751621 0.251100 O\n0.747699 0.751621 0.748900 O\n0.993695 0.000000 0.266179 O\n0.993695 0.000000 0.733821 O\n0.996842 0.500000 0.255926 O\n0.996842 0.500000 0.744074 O\n0.497137 0.000000 0.257332 O\n0.497137 0.000000 0.742668 O\n0.497993 0.500000 0.252529 O\n0.497993 0.500000 0.747471 O\n0.993970 0.270677 0.000000 O\n0.996302 0.244797 0.500000 O\n0.993970 0.729323 0.000000 O\n0.996302 0.755203 0.500000 O\n0.496142 0.254095 0.000000 O\n0.497888 0.249522 0.500000 O\n0.496142 0.745905 0.000000 O\n0.497888 0.750478 0.500000 O\n",
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{
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{
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{
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{
"id": "mp-1018730",
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"structure_string": "In4 Cu2\n1.0\n2.345682 -4.062841 0.000000\n2.345682 4.062841 0.000000\n0.000000 0.000000 6.901902\nIn Cu\n4 2\ndirect\n0.333333 0.666667 0.750000 In\n0.666667 0.333333 0.250000 In\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.250000 Cu\n0.666667 0.333333 0.750000 Cu\n",
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