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{
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{
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{
"id": "mp-1516671",
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"formula_full": "Ba4 Sm4 Eu4 Sb4 O24",
"formula_reduced": "BaSmEuSbO6",
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"spacegroup": 16
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{
"id": "mp-1519147",
"created_at": "2022-09-04T14:42:56.484775Z",
"structure_string": "Ba1 Na1 Pr1 W1 O6\n1.0\n0.000000 -4.308643 -4.308643\n4.308643 0.000000 -4.308643\n4.308643 -4.308643 -0.000000\nBa Na Pr W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n-0.000000 0.000000 -0.000000 Pr\n0.500000 0.500000 0.500000 W\n0.726974 0.273026 0.273026 O\n0.273026 0.726974 0.726974 O\n0.726974 0.273026 0.726974 O\n0.273026 0.726974 0.273026 O\n0.726974 0.726974 0.273026 O\n0.273026 0.273026 0.726974 O\n",
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"density_atomic": 0.06250985193996371,
"volume": 159.97478300867346,
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"formula_full": "Ba1 Na1 Pr1 W1 O6",
"formula_reduced": "BaNaPrWO6",
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"spacegroup": 216
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{
"id": "mp-1521220",
"created_at": "2022-09-04T14:43:19.736957Z",
"structure_string": "Ba4 Ca4 Ce4 Sn4 O24\n1.0\n8.494826 0.000000 0.000000\n0.000000 8.483527 0.000000\n0.000000 0.000000 8.478104\nBa Ca Ce Sn O\n4 4 4 4 24\ndirect\n0.000000 -0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 -0.000000 -0.000000 Ba\n0.000000 0.500000 -0.000000 Ba\n-0.000000 0.500000 0.500000 Ca\n0.500000 -0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n-0.000000 -0.000000 0.500000 Ca\n0.748778 0.749334 0.744747 Ce\n0.251222 0.250666 0.744747 Ce\n0.251222 0.749334 0.255253 Ce\n0.748778 0.250666 0.255253 Ce\n0.251387 0.250673 0.256086 Sn\n0.748613 0.749327 0.256086 Sn\n0.748613 0.250673 0.743914 Sn\n0.251387 0.749327 0.743914 Sn\n0.008823 0.206497 0.298874 O\n0.991177 0.793503 0.298874 O\n0.991177 0.206497 0.701126 O\n0.008823 0.793503 0.701126 O\n0.282420 0.006700 0.226810 O\n0.282420 0.993300 0.773190 O\n0.717580 0.993300 0.226810 O\n0.717580 0.006700 0.773190 O\n0.217956 0.272382 0.009656 O\n0.782044 0.272382 0.990344 O\n0.217956 0.727618 0.990344 O\n0.782044 0.727618 0.009656 O\n0.491259 0.304155 0.209706 O\n0.508741 0.695845 0.209706 O\n0.508741 0.304155 0.790294 O\n0.491259 0.695845 0.790294 O\n0.202846 0.490411 0.300380 O\n0.202846 0.509589 0.699620 O\n0.797154 0.509589 0.300380 O\n0.797154 0.490411 0.699620 O\n0.308584 0.210460 0.492903 O\n0.691416 0.210460 0.507097 O\n0.308584 0.789540 0.507097 O\n0.691416 0.789540 0.492903 O\n",
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"formula_full": "Ba4 Ca4 Ce4 Sn4 O24",
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},
{
"id": "mp-1520891",
"created_at": "2022-09-04T14:43:23.237228Z",
"structure_string": "K1 Ca1 Dy1 W1 O6\n1.0\n0.000000 -4.173009 -4.173009\n4.173009 -0.000000 -4.173009\n4.173009 -4.173009 0.000000\nK Ca Dy W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 W\n0.733418 0.266582 0.266582 O\n0.266582 0.733418 0.733418 O\n0.733418 0.266582 0.733418 O\n0.266582 0.733418 0.266582 O\n0.733418 0.733418 0.266582 O\n0.266582 0.266582 0.733418 O\n",
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{
"id": "mp-31468",
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"structure_string": "Li4 Ca4 N4\n1.0\n3.674674 0.000000 0.000000\n0.000000 5.552563 0.000000\n0.000000 0.000000 8.505795\nLi Ca N\n4 4 4\ndirect\n0.250000 0.574694 0.047551 Li\n0.750000 0.425306 0.952449 Li\n0.750000 0.074694 0.452449 Li\n0.250000 0.925306 0.547551 Li\n0.250000 0.473443 0.656335 Ca\n0.750000 0.973443 0.843665 Ca\n0.250000 0.026557 0.156335 Ca\n0.750000 0.526557 0.343665 Ca\n0.750000 0.740846 0.092830 N\n0.750000 0.759154 0.592830 N\n0.250000 0.259154 0.907170 N\n0.250000 0.240846 0.407170 N\n",
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{
"id": "mp-1245286",
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"structure_string": "Ga50 N50\n1.0\n11.814066 0.322569 -0.411148\n0.339472 11.442364 -0.326478\n-0.392216 -0.303530 11.128427\nGa N\n50 50\ndirect\n0.052449 0.701779 0.651115 Ga\n0.201906 0.602986 0.490344 Ga\n0.182407 0.556391 0.009579 Ga\n0.830951 0.824338 0.579027 Ga\n0.165692 0.272355 0.114555 Ga\n0.514718 0.532008 0.747482 Ga\n0.493994 0.825119 0.795562 Ga\n0.090096 0.008298 0.095283 Ga\n0.503565 0.414739 0.460592 Ga\n0.855156 0.078698 0.198922 Ga\n0.301861 0.868810 0.916019 Ga\n0.193856 0.079069 0.815119 Ga\n0.708460 0.381974 0.916814 Ga\n0.868330 0.294414 0.072646 Ga\n0.974785 0.238678 0.354405 Ga\n0.414501 0.064714 0.793125 Ga\n0.904114 0.036370 0.532683 Ga\n0.586169 0.648399 0.007007 Ga\n0.635744 0.577737 0.398780 Ga\n0.655139 0.010706 0.646102 Ga\n0.036034 0.731877 0.375009 Ga\n0.607416 0.730934 0.235861 Ga\n0.888454 0.344718 0.623142 Ga\n0.590913 0.192478 0.909118 Ga\n0.362585 0.268882 0.320577 Ga\n0.606651 0.928825 0.042430 Ga\n0.054042 0.498386 0.152858 Ga\n0.925525 0.531644 0.425181 Ga\n0.432779 0.922670 0.525235 Ga\n0.863097 0.011206 0.951781 Ga\n0.940560 0.547829 0.858699 Ga\n0.646797 0.270616 0.624507 Ga\n0.980864 0.155073 0.735514 Ga\n0.147383 0.396933 0.505740 Ga\n0.366360 0.096116 0.059008 Ga\n0.082089 0.316413 0.883926 Ga\n0.604038 0.754776 0.553461 Ga\n0.718787 0.687397 0.829046 Ga\n0.202606 0.504093 0.733613 Ga\n0.828422 0.557663 0.184410 Ga\n0.759861 0.343115 0.359232 Ga\n0.844681 0.793591 0.061678 Ga\n0.928998 0.837543 0.812210 Ga\n0.417029 0.269878 0.684775 Ga\n0.431038 0.951916 0.278501 Ga\n0.362162 0.640099 0.952742 Ga\n0.064924 0.946820 0.311336 Ga\n0.350527 0.671090 0.635154 Ga\n0.763949 0.594196 0.627348 Ga\n0.112143 0.766021 0.965057 Ga\n0.268808 0.096198 0.521361 N\n0.502991 0.062830 0.970093 N\n0.584424 0.120548 0.267993 N\n0.947571 0.068370 0.367704 N\n0.934272 0.690984 0.512022 N\n0.098788 0.485964 0.864567 N\n0.776627 0.504314 0.337524 N\n0.347935 0.577878 0.779654 N\n0.753093 0.864051 0.364335 N\n0.258615 0.756529 0.169397 N\n0.509585 0.692103 0.675094 N\n0.611161 0.794731 0.917665 N\n0.120355 0.262082 0.287857 N\n0.881353 0.499417 0.700917 N\n0.197815 0.258412 0.771141 N\n0.199953 0.298993 0.366460 N\n0.751285 0.117501 0.862337 N\n0.519845 0.073143 0.506573 N\n0.984549 0.371429 0.480292 N\n0.731859 0.684272 0.125362 N\n0.361082 0.542240 0.288154 N\n0.349411 0.497100 0.196131 N\n0.410009 0.376262 0.913907 N\n0.005615 0.862247 0.048401 N\n0.168890 0.865049 0.585575 N\n0.228532 0.015454 0.994306 N\n0.639811 0.536274 0.873622 N\n0.535068 0.869925 0.177992 N\n0.265809 0.854592 0.605523 N\n0.541268 0.319676 0.131537 N\n0.506440 0.172542 0.545210 N\n0.950375 0.120962 0.064591 N\n0.824871 0.851323 0.301697 N\n0.834846 0.251327 0.238027 N\n0.320360 0.220942 0.158928 N\n0.982538 0.593081 0.277450 N\n0.290162 0.771816 0.266401 N\n0.595107 0.388588 0.178374 N\n0.766825 0.283174 0.762748 N\n0.912050 0.456564 0.064358 N\n0.770764 0.958358 0.081170 N\n0.174130 0.092029 0.525135 N\n0.667658 0.101467 0.320256 N\n0.251882 0.323094 0.706303 N\n0.755111 0.296572 0.514649 N\n0.513657 0.394746 0.637213 N\n0.503617 0.955318 0.696018 N\n0.811189 0.185156 0.807025 N\n0.332277 0.364638 0.964082 N\n0.871377 0.702919 0.904886 N\n",
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{
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{
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{
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{
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}