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{
"id": "mp-21512",
"created_at": "2022-09-04T14:45:09.665953Z",
"structure_string": "Ta8 Cr4 O24\n1.0\n4.850584 0.000029 -0.000011\n0.000058 9.701049 -0.000031\n-0.000021 -0.000030 9.222658\nTa Cr O\n8 4 24\ndirect\n0.500070 0.250004 0.167505 Ta\n0.500096 0.750029 0.167501 Ta\n0.000079 0.999969 0.667484 Ta\n0.000095 0.500003 0.667485 Ta\n0.500074 0.250005 0.832492 Ta\n0.500089 0.750025 0.832497 Ta\n0.000079 0.999964 0.332519 Ta\n0.000088 0.500003 0.332513 Ta\n0.499892 0.750149 0.499994 Cr\n0.999775 0.499819 0.999996 Cr\n0.499561 0.250279 0.500002 Cr\n0.999577 0.999729 0.000029 Cr\n0.316319 0.158128 0.000000 O\n0.316360 0.658150 0.999999 O\n0.183749 0.408177 0.499999 O\n0.183728 0.908110 0.500000 O\n0.816305 0.091847 0.499998 O\n0.816325 0.591906 0.499999 O\n0.683696 0.341845 0.000000 O\n0.683732 0.841842 0.999999 O\n0.296231 0.148093 0.323538 O\n0.296198 0.648111 0.323549 O\n0.203851 0.398127 0.823530 O\n0.203794 0.898104 0.823567 O\n0.796212 0.101876 0.823526 O\n0.796214 0.601923 0.823509 O\n0.796218 0.101874 0.176466 O\n0.796213 0.601924 0.176494 O\n0.203848 0.398130 0.176465 O\n0.203801 0.898098 0.176440 O\n0.703819 0.351898 0.323573 O\n0.703843 0.851883 0.323564 O\n0.296230 0.148094 0.676456 O\n0.296185 0.648106 0.676461 O\n0.703819 0.351898 0.676427 O\n0.703833 0.851877 0.676424 O\n",
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{
"id": "mp-556391",
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"structure_string": "Ba4 Mn4 Bi4 O2\n1.0\n4.895147 -0.000004 0.000000\n-2.447576 4.239317 0.000000\n0.000002 0.000001 20.482410\nBa Mn Bi O\n4 4 4 2\ndirect\n0.999999 0.000001 0.749992 Ba\n0.000000 0.000001 0.249992 Ba\n0.000000 0.000001 0.499994 Ba\n0.000000 0.000001 0.999994 Ba\n0.333345 0.666654 0.848876 Mn\n0.666662 0.333338 0.348882 Mn\n0.666663 0.333338 0.151161 Mn\n0.333334 0.666663 0.651163 Mn\n0.666667 0.333334 0.888931 Bi\n0.666667 0.333334 0.611058 Bi\n0.333333 0.666668 0.388931 Bi\n0.333333 0.666668 0.111058 Bi\n0.666667 0.333334 0.249984 O\n0.333333 0.666667 0.749984 O\n",
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"formula_full": "Ba4 Mn4 Bi4 O2",
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{
"id": "mp-1229049",
"created_at": "2022-09-04T14:45:10.149951Z",
"structure_string": "As4 Br4 O4 F32\n1.0\n8.880048 0.000000 0.000000\n0.000000 8.860144 0.000000\n0.000000 0.061491 8.886320\nAs Br O F\n4 4 4 32\ndirect\n0.635032 0.886014 0.636031 As\n0.864897 0.614680 0.134510 As\n0.364897 0.385320 0.865490 As\n0.135032 0.113986 0.363969 As\n0.779616 0.454095 0.696163 Br\n0.196313 0.970374 0.795800 Br\n0.696313 0.029626 0.204200 Br\n0.279616 0.545905 0.303837 Br\n0.715286 0.381165 0.547130 O\n0.047097 0.034606 0.869215 O\n0.547097 0.965394 0.130785 O\n0.215286 0.618835 0.452870 O\n0.641217 0.680917 0.620691 F\n0.880864 0.613506 0.934395 F\n0.569721 0.370013 0.859058 F\n0.361051 0.179365 0.878232 F\n0.122317 0.109696 0.568812 F\n0.434872 0.869448 0.637665 F\n0.861051 0.820635 0.121768 F\n0.622317 0.890304 0.431188 F\n0.934872 0.130552 0.362335 F\n0.141217 0.319083 0.379309 F\n0.380864 0.386494 0.065605 F\n0.069721 0.629987 0.140942 F\n0.622067 0.082623 0.638551 F\n0.861507 0.628606 0.330962 F\n0.168845 0.388391 0.877990 F\n0.379479 0.581613 0.859110 F\n0.140271 0.129343 0.168090 F\n0.831334 0.889190 0.621212 F\n0.879479 0.418387 0.140890 F\n0.640271 0.870657 0.831910 F\n0.331334 0.110810 0.378788 F\n0.122067 0.917377 0.361449 F\n0.361507 0.371394 0.669038 F\n0.668845 0.611609 0.122010 F\n0.954967 0.530649 0.635720 F\n0.873441 0.300000 0.784647 F\n0.284029 0.876093 0.949578 F\n0.135776 0.795187 0.720010 F\n0.784029 0.123907 0.050422 F\n0.635776 0.204813 0.279990 F\n0.454967 0.469351 0.364280 F\n0.373441 0.700000 0.215353 F\n",
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"formula_full": "As4 Br4 O4 F32",
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"spacegroup": 4
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{
"id": "mp-1518723",
"created_at": "2022-09-04T14:45:10.700107Z",
"structure_string": "Ca2 La1 Sb1 O6\n1.0\n0.000000 -4.284295 -4.284295\n4.284295 0.000000 -4.284295\n4.284295 -4.284295 0.000000\nCa La Sb O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Sb\n0.731737 0.268263 0.268263 O\n0.268263 0.731737 0.731737 O\n0.731737 0.268263 0.731737 O\n0.268263 0.731737 0.268263 O\n0.731737 0.731737 0.268263 O\n0.268263 0.268263 0.731737 O\n",
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"volume": 157.27804304606195,
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"formula_full": "Ca2 La1 Sb1 O6",
"formula_reduced": "Ca2LaSbO6",
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{
"id": "mp-1353259",
"created_at": "2022-09-04T14:45:10.147027Z",
"structure_string": "Si12 O24\n1.0\n9.870478 0.000000 0.000000\n0.000000 9.870478 0.000000\n0.000000 0.000000 9.845242\nSi O\n12 24\ndirect\n0.504267 0.126866 0.126050 Si\n0.240017 0.759983 0.750000 Si\n0.126866 0.504267 0.873950 Si\n0.373134 0.004267 0.876050 Si\n0.626866 0.995733 0.376050 Si\n0.873134 0.495733 0.373950 Si\n0.004267 0.373134 0.123950 Si\n0.740017 0.740017 0.500000 Si\n0.495733 0.873134 0.626050 Si\n0.995733 0.626866 0.623950 Si\n0.759983 0.240017 0.250000 Si\n0.259983 0.259983 0.000000 Si\n0.742709 0.113505 0.356138 O\n0.774465 0.363346 0.361077 O\n0.242709 0.386495 0.893862 O\n0.757291 0.613505 0.393862 O\n0.363346 0.774465 0.638923 O\n0.113505 0.742709 0.643862 O\n0.613505 0.757291 0.606138 O\n0.515920 0.022596 0.254906 O\n0.886495 0.257291 0.143862 O\n0.274465 0.136654 0.888923 O\n0.484080 0.977404 0.754906 O\n0.136654 0.274465 0.111077 O\n0.636654 0.225535 0.138923 O\n0.015920 0.477404 0.995094 O\n0.477404 0.015920 0.004906 O\n0.863346 0.725535 0.611077 O\n0.022596 0.515920 0.745094 O\n0.386495 0.242709 0.106138 O\n0.522596 0.984080 0.504906 O\n0.725535 0.863346 0.388923 O\n0.225535 0.636654 0.861077 O\n0.984080 0.522596 0.495094 O\n0.257291 0.886495 0.856138 O\n0.977404 0.484080 0.245094 O\n",
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{
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"structure_string": "K1 Sr1 Sm1 Se1 O6\n1.0\n-0.000000 -4.106743 -4.106743\n4.106743 0.000000 -4.106743\n4.106743 -4.106743 -0.000000\nK Sr Sm Se O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Sm\n-0.000000 -0.000000 0.000000 Se\n0.776857 0.223143 0.223143 O\n0.223143 0.776857 0.776857 O\n0.776857 0.223143 0.776857 O\n0.223143 0.776857 0.223143 O\n0.776857 0.776857 0.223143 O\n0.223143 0.223143 0.776857 O\n",
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{
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{
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"structure_string": "Mg1 Ag20 Bi4 O16\n1.0\n6.020131 -0.085993 -0.039612\n-0.128140 9.016878 -0.101841\n0.246699 -0.143101 13.222079\nMg Ag Bi O\n1 20 4 16\ndirect\n0.266865 0.727598 0.957377 Mg\n0.225120 0.725350 0.163031 Ag\n0.737000 0.778028 0.629922 Ag\n0.929740 0.480115 0.031923 Ag\n0.498813 0.997718 0.496725 Ag\n0.008329 0.150974 0.653877 Ag\n0.610487 0.565996 0.900630 Ag\n0.970165 0.858132 0.342632 Ag\n0.533060 0.370694 0.153857 Ag\n0.526354 0.985062 0.245360 Ag\n0.970658 0.481534 0.260209 Ag\n0.450738 0.021074 0.745129 Ag\n0.058489 0.512817 0.739329 Ag\n0.477372 0.036380 0.996549 Ag\n0.005664 0.498657 0.495220 Ag\n0.234418 0.272708 0.867791 Ag\n0.231908 0.773953 0.629541 Ag\n0.673018 0.731318 0.076774 Ag\n0.764519 0.224165 0.369600 Ag\n0.735580 0.260767 0.861230 Ag\n0.259567 0.223556 0.366365 Ag\n0.524571 0.380709 0.612756 Bi\n0.932462 0.897614 0.867884 Bi\n0.480601 0.619077 0.384602 Bi\n0.012050 0.111319 0.119393 Bi\n0.111016 0.345037 0.139359 O\n0.411506 0.859589 0.371602 O\n0.025517 0.654638 0.867025 O\n0.590780 0.137775 0.620260 O\n0.986118 0.915265 0.699577 O\n0.494537 0.389354 0.788099 O\n0.976986 0.144737 0.940583 O\n0.486406 0.638933 0.569138 O\n0.038901 0.839124 0.050880 O\n0.513541 0.356898 0.436054 O\n0.647399 0.133366 0.126079 O\n0.847465 0.633697 0.381612 O\n0.304241 0.913801 0.875690 O\n0.158436 0.367858 0.612552 O\n0.006887 0.088656 0.294245 O\n0.491049 0.595958 0.217874 O\n",
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{
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"structure_string": "Li1 La1 Mg6 O8\n1.0\n8.910750 -0.000000 0.000000\n-0.000000 4.483448 0.000000\n0.000000 0.000000 4.483448\nLi La Mg O\n1 1 6 8\ndirect\n0.000000 0.000000 -0.000000 Li\n0.500000 0.000000 -0.000000 La\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.221142 0.000000 0.500000 Mg\n0.778858 -0.000000 0.500000 Mg\n0.221142 0.500000 0.000000 Mg\n0.778858 0.500000 -0.000000 Mg\n0.234330 0.000000 0.000000 O\n0.765670 -0.000000 -0.000000 O\n0.253300 0.500000 0.500000 O\n0.746700 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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}