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{
"id": "mp-1190965",
"created_at": "2022-09-04T14:46:22.509417Z",
"structure_string": "Pr5 Co19\n1.0\n-2.533084 -4.387430 0.000000\n2.533084 -4.387430 0.000000\n0.000000 -2.924953 16.147672\nPr Co\n5 19\ndirect\n0.000000 0.000000 0.000000 Pr\n0.079432 0.079432 0.761704 Pr\n0.920568 0.920568 0.238296 Pr\n0.152890 0.152890 0.541330 Pr\n0.847110 0.847110 0.458670 Pr\n0.500000 0.500000 0.500000 Co\n0.250930 0.250930 0.247211 Co\n0.749070 0.749070 0.752789 Co\n0.333537 0.333537 0.999390 Co\n0.666463 0.666463 0.000611 Co\n0.414767 0.414767 0.755700 Co\n0.585233 0.585233 0.244300 Co\n0.127737 0.618962 0.634340 Co\n0.618962 0.618962 0.634340 Co\n0.618962 0.127737 0.634340 Co\n0.872263 0.381038 0.365660 Co\n0.381038 0.381038 0.365660 Co\n0.381038 0.872263 0.365660 Co\n0.040616 0.540800 0.877784 Co\n0.540800 0.540800 0.877784 Co\n0.540800 0.040616 0.877784 Co\n0.959384 0.459200 0.122216 Co\n0.459200 0.459200 0.122216 Co\n0.459200 0.959384 0.122216 Co\n",
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{
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"structure_string": "Be6 Fe8 Si6 S2 O24\n1.0\n8.276551 0.000000 0.000000\n0.000000 8.276551 0.000000\n0.000000 0.000000 8.276551\nBe Fe Si S O\n6 8 6 2 24\ndirect\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.333164 0.666836 0.333164 Fe\n0.666836 0.333164 0.333164 Fe\n0.833164 0.833164 0.166836 Fe\n0.166836 0.833164 0.833164 Fe\n0.833164 0.166836 0.833164 Fe\n0.666836 0.666836 0.666836 Fe\n0.166836 0.166836 0.166836 Fe\n0.333164 0.333164 0.666836 Fe\n0.750000 0.000000 0.500000 Si\n0.500000 0.750000 0.000000 Si\n0.500000 0.250000 0.000000 Si\n0.250000 0.000000 0.500000 Si\n0.000000 0.500000 0.750000 Si\n0.000000 0.500000 0.250000 Si\n0.000000 0.000000 0.000000 S\n0.500000 0.500000 0.500000 S\n0.140089 0.588097 0.860149 O\n0.859911 0.588097 0.139851 O\n0.411903 0.860149 0.859911 O\n0.588097 0.860149 0.140089 O\n0.860149 0.859911 0.411903 O\n0.139851 0.140089 0.411903 O\n0.359911 0.360149 0.911903 O\n0.140089 0.411903 0.139851 O\n0.859911 0.411903 0.860149 O\n0.588097 0.139851 0.859911 O\n0.411903 0.139851 0.140089 O\n0.860149 0.140089 0.588097 O\n0.139851 0.859911 0.588097 O\n0.911903 0.359911 0.360149 O\n0.360149 0.911903 0.359911 O\n0.639851 0.088097 0.359911 O\n0.911903 0.640089 0.639851 O\n0.640089 0.639851 0.911903 O\n0.088097 0.640089 0.360149 O\n0.088097 0.359911 0.639851 O\n0.360149 0.088097 0.640089 O\n0.359911 0.639851 0.088097 O\n0.640089 0.360149 0.088097 O\n0.639851 0.911903 0.640089 O\n",
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"volume": 566.9544736809008,
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"formula_full": "Be6 Fe8 Si6 S2 O24",
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{
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"structure_string": "Mg1 V3 Co1 Sn2 P6 O24\n1.0\n9.175448 0.414712 0.201788\n4.201210 -7.341919 -0.003904\n4.274726 -2.420797 -7.040742\nMg V Co Sn P O\n1 3 1 2 6 24\ndirect\n0.653066 0.172034 0.427828 Mg\n0.061277 0.628473 0.664243 V\n0.442047 0.844403 0.853427 V\n0.949191 0.354612 0.340555 V\n0.524453 0.163671 0.139856 Co\n0.946272 0.012221 0.008421 Sn\n0.470401 0.634106 0.489555 Sn\n0.255723 0.246614 0.540088 P\n0.242552 0.958823 0.253585 P\n0.250692 0.539077 0.958696 P\n0.758143 0.455912 0.031601 P\n0.759026 0.026380 0.742868 P\n0.758687 0.740558 0.473424 P\n0.075669 0.121565 0.279124 O\n0.079647 0.508689 0.104646 O\n0.107182 0.284611 0.482186 O\n0.278739 0.058760 0.707312 O\n0.431852 0.246804 0.377790 O\n0.214725 0.411991 0.605391 O\n0.301928 0.958345 0.056300 O\n0.207316 0.766706 0.408237 O\n0.613951 0.638190 0.987227 O\n0.228553 0.623340 0.755796 O\n0.736579 0.285036 0.023930 O\n0.611578 0.007322 0.715148 O\n0.392532 0.960981 0.295149 O\n0.281131 0.693297 0.976300 O\n0.753636 0.388605 0.239930 O\n0.406088 0.362213 0.959800 O\n0.782727 0.215370 0.578374 O\n0.719474 0.027983 0.938504 O\n0.792330 0.615578 0.370380 O\n0.572828 0.750380 0.617023 O\n0.758373 0.949955 0.326693 O\n0.894657 0.661559 0.566735 O\n0.939885 0.473149 0.904496 O\n0.925662 0.861136 0.713445 O\n",
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{
"id": "mp-1286827",
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"structure_string": "Na4 V8 O16\n1.0\n5.153912 -0.006328 0.004953\n-0.007414 5.996927 0.012390\n0.011374 0.023724 11.481063\nNa V O\n4 8 16\ndirect\n0.029007 0.748227 0.250228 Na\n0.968932 0.247890 0.749808 Na\n0.350570 0.750728 0.750140 Na\n0.648012 0.252013 0.251130 Na\n0.007722 0.250094 0.491651 V\n0.991969 0.749926 0.508285 V\n0.501286 0.496373 0.001112 V\n0.497659 0.005419 0.999163 V\n0.002360 0.247119 0.008837 V\n0.997363 0.747001 0.990571 V\n0.499936 0.999891 0.499983 V\n0.499861 0.500083 0.500144 V\n0.334201 0.250354 0.093415 O\n0.321664 0.250699 0.407668 O\n0.678116 0.749392 0.592589 O\n0.678483 0.750838 0.910333 O\n0.309215 0.751068 0.082648 O\n0.312331 0.750505 0.416610 O\n0.687548 0.249341 0.583121 O\n0.679183 0.252012 0.913546 O\n0.157168 0.001681 0.592989 O\n0.157327 0.002036 0.904946 O\n0.157055 0.497431 0.593180 O\n0.151787 0.489573 0.907487 O\n0.842507 0.998092 0.406689 O\n0.842540 0.502823 0.406886 O\n0.849424 0.008386 0.092564 O\n0.846772 0.501003 0.094279 O\n",
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"formula_full": "Na4 V8 O16",
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"spacegroup": 6
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{
"id": "mp-1246629",
"created_at": "2022-09-04T14:46:22.517528Z",
"structure_string": "Ca2 Si14 N20\n1.0\n6.859859 0.000000 0.026173\n0.000000 6.807868 0.000000\n-2.607426 0.000000 9.315287\nCa Si N\n2 14 20\ndirect\n0.911189 0.005436 0.623515 Ca\n0.911189 0.994564 0.123515 Ca\n0.542020 0.976158 0.828623 Si\n0.542020 0.023842 0.328623 Si\n0.355379 0.024975 0.019435 Si\n0.355379 0.975025 0.519435 Si\n0.112089 0.396048 0.076433 Si\n0.112089 0.603952 0.576433 Si\n0.664676 0.369589 0.993281 Si\n0.664676 0.630411 0.493281 Si\n0.851597 0.627105 0.812094 Si\n0.851597 0.372895 0.312094 Si\n0.297879 0.621004 0.885581 Si\n0.297879 0.378996 0.385581 Si\n0.485470 0.371095 0.689963 Si\n0.485470 0.628905 0.189963 Si\n0.756804 0.851267 0.835610 N\n0.756804 0.148733 0.335610 N\n0.570635 0.134105 0.978378 N\n0.570635 0.865895 0.478378 N\n0.325842 0.870157 0.868940 N\n0.325842 0.129843 0.368940 N\n0.159219 0.163105 0.032219 N\n0.159219 0.836895 0.532219 N\n0.287547 0.502097 0.726480 N\n0.287547 0.497903 0.226480 N\n0.455949 0.118316 0.673846 N\n0.455949 0.881684 0.173846 N\n0.886291 0.376187 0.133383 N\n0.886291 0.623813 0.633383 N\n0.079566 0.576761 0.940120 N\n0.079566 0.423239 0.440120 N\n0.702826 0.422256 0.825865 N\n0.702826 0.577744 0.325865 N\n0.497322 0.538264 0.025533 N\n0.497322 0.461736 0.525533 N\n",
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{
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{
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{
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{
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"structure_string": "Sr6 Mn3 Fe1 O14\n1.0\n2.756752 -10.138069 0.000000\n2.756752 10.138069 0.000000\n0.000000 0.000000 5.510399\nSr Mn Fe O\n6 3 1 14\ndirect\n0.499877 0.500123 0.000000 Sr\n0.999837 0.000163 0.500000 Sr\n0.817091 0.182909 0.500000 Sr\n0.317262 0.682738 0.000000 Sr\n0.683050 0.316950 0.000000 Sr\n0.182670 0.817330 0.500000 Sr\n0.902587 0.097413 0.000000 Mn\n0.097472 0.902528 0.000000 Mn\n0.597625 0.402375 0.500000 Mn\n0.403004 0.596996 0.500000 Fe\n0.806274 0.193726 0.000000 O\n0.305615 0.694385 0.500000 O\n0.693097 0.306903 0.500000 O\n0.192741 0.807259 0.000000 O\n0.500764 0.499236 0.500000 O\n0.000686 0.999314 0.000000 O\n0.656411 0.847917 0.752324 O\n0.152083 0.343589 0.247676 O\n0.152083 0.343589 0.752324 O\n0.656411 0.847917 0.247676 O\n0.845776 0.654096 0.750149 O\n0.345904 0.154224 0.249851 O\n0.345904 0.154224 0.750149 O\n0.845776 0.654096 0.249851 O\n",
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