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{
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"updated_at": "2021-11-28T01:36:36.197000Z",
"spacegroup": 62
},
{
"id": "mp-1262076",
"created_at": "2022-09-04T14:43:04.571007Z",
"structure_string": "Al4 Bi4 O14\n1.0\n0.000000 5.080323 5.080323\n5.080323 0.000000 5.080323\n5.080323 5.080323 0.000000\nAl Bi O\n4 4 14\ndirect\n0.125000 0.125000 0.625000 Al\n0.125000 0.625000 0.125000 Al\n0.625000 0.125000 0.125000 Al\n0.125000 0.125000 0.125000 Al\n0.625000 0.625000 0.125000 Bi\n0.625000 0.125000 0.625000 Bi\n0.125000 0.625000 0.625000 Bi\n0.625000 0.625000 0.625000 Bi\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n0.466150 0.033850 0.466150 O\n0.216150 0.783850 0.216150 O\n0.466150 0.466150 0.033850 O\n0.033850 0.466150 0.466150 O\n0.466150 0.033850 0.033850 O\n0.033850 0.033850 0.466150 O\n0.033850 0.466150 0.033850 O\n0.783850 0.216150 0.216150 O\n0.216150 0.783850 0.783850 O\n0.783850 0.216150 0.783850 O\n0.216150 0.216150 0.783850 O\n0.783850 0.783850 0.216150 O\n",
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"formula_full": "Al4 Bi4 O14",
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{
"id": "mp-1204779",
"created_at": "2022-09-04T14:41:51.922783Z",
"structure_string": "Al8 Bi28 Ru4 Br8 Cl32\n1.0\n14.763753 0.000000 0.000000\n0.000000 11.901421 0.000000\n0.000000 9.767079 15.324785\nAl Bi Ru Br Cl\n8 28 4 8 32\ndirect\n0.188685 0.469580 0.583488 Al\n0.311315 0.469580 0.083488 Al\n0.811315 0.530420 0.416512 Al\n0.688685 0.530420 0.916512 Al\n0.532660 0.802736 0.194450 Al\n0.967340 0.802736 0.694450 Al\n0.467340 0.197264 0.805550 Al\n0.032660 0.197264 0.305550 Al\n0.133891 0.104973 0.910224 Bi\n0.366109 0.104973 0.410224 Bi\n0.866109 0.895027 0.089776 Bi\n0.633891 0.895027 0.589776 Bi\n0.005018 0.830293 0.964428 Bi\n0.494982 0.830293 0.464428 Bi\n0.994982 0.169707 0.035572 Bi\n0.505018 0.169707 0.535572 Bi\n0.959871 0.151781 0.747067 Bi\n0.540129 0.151781 0.247067 Bi\n0.040129 0.848219 0.252933 Bi\n0.459871 0.848219 0.752933 Bi\n0.788206 0.012209 0.856703 Bi\n0.711794 0.012209 0.356703 Bi\n0.211794 0.987791 0.143297 Bi\n0.288206 0.987791 0.643297 Bi\n0.777470 0.222842 0.906324 Bi\n0.722530 0.222842 0.406324 Bi\n0.222530 0.777158 0.093676 Bi\n0.277470 0.777158 0.593676 Bi\n0.944200 0.367673 0.792162 Bi\n0.555800 0.367673 0.292162 Bi\n0.055800 0.632327 0.207838 Bi\n0.444200 0.632327 0.707838 Bi\n0.775303 0.315688 0.705947 Bi\n0.724697 0.315688 0.205947 Bi\n0.224697 0.684312 0.294053 Bi\n0.275303 0.684312 0.794053 Bi\n0.943281 0.081624 0.924933 Ru\n0.556719 0.081624 0.424933 Ru\n0.056719 0.918376 0.075067 Ru\n0.443281 0.918376 0.575067 Ru\n0.163783 0.917990 0.849129 Br\n0.336217 0.917990 0.349129 Br\n0.836217 0.082010 0.150871 Br\n0.663783 0.082010 0.650871 Br\n0.837492 0.688266 0.053980 Br\n0.662508 0.688266 0.553980 Br\n0.162508 0.311734 0.946020 Br\n0.337492 0.311734 0.446020 Br\n0.166501 0.445287 0.709386 Cl\n0.333499 0.445287 0.209386 Cl\n0.833499 0.554713 0.290614 Cl\n0.666501 0.554713 0.790614 Cl\n0.329433 0.520366 0.548640 Cl\n0.170567 0.520366 0.048640 Cl\n0.670567 0.479634 0.451360 Cl\n0.829433 0.479634 0.951360 Cl\n0.110660 0.639104 0.486949 Cl\n0.389340 0.639104 0.986949 Cl\n0.889340 0.360896 0.513051 Cl\n0.610660 0.360896 0.013051 Cl\n0.145519 0.291296 0.592039 Cl\n0.354481 0.291296 0.092039 Cl\n0.854481 0.708704 0.407961 Cl\n0.645519 0.708704 0.907961 Cl\n0.598358 0.725933 0.125155 Cl\n0.901642 0.725933 0.625155 Cl\n0.401642 0.274067 0.874845 Cl\n0.098358 0.274067 0.374845 Cl\n0.634588 0.856917 0.256085 Cl\n0.865412 0.856917 0.756085 Cl\n0.365412 0.143083 0.743915 Cl\n0.134588 0.143083 0.243915 Cl\n0.450308 0.974122 0.110784 Cl\n0.049692 0.974122 0.610784 Cl\n0.549692 0.025878 0.889216 Cl\n0.950308 0.025878 0.389216 Cl\n0.449707 0.647443 0.297827 Cl\n0.050293 0.647443 0.797827 Cl\n0.550293 0.352557 0.702173 Cl\n0.949707 0.352557 0.202173 Cl\n",
"nsites": 80,
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"elements": [
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"density": 5.08470997324526,
"density_atomic": 0.029709819123811043,
"volume": 2692.7124553203257,
"volume_molar": 20.26986679018027,
"formula_full": "Al8 Bi28 Ru4 Br8 Cl32",
"formula_reduced": "Al2Bi7Ru(BrCl4)2",
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},
{
"id": "mp-1197319",
"created_at": "2022-09-04T14:40:31.474410Z",
"structure_string": "Al8 Bi28 Ru4 Br8 Cl32\n1.0\n18.455601 0.000000 0.000000\n0.000000 10.055950 0.000000\n0.000000 5.192154 14.243039\nAl Bi Ru Br Cl\n8 28 4 8 32\ndirect\n0.320875 0.358397 0.943318 Al\n0.179125 0.358397 0.443318 Al\n0.679125 0.641603 0.056682 Al\n0.820875 0.641603 0.556682 Al\n0.368973 0.677867 0.154704 Al\n0.131027 0.677867 0.654704 Al\n0.631027 0.322133 0.845296 Al\n0.868973 0.322133 0.345296 Al\n0.904401 0.144305 0.029513 Bi\n0.595599 0.144305 0.529513 Bi\n0.095599 0.855695 0.970487 Bi\n0.404401 0.855695 0.470487 Bi\n0.928960 0.788400 0.076723 Bi\n0.571040 0.788400 0.576723 Bi\n0.071040 0.211600 0.923277 Bi\n0.428960 0.211600 0.423277 Bi\n0.181883 0.014105 0.142177 Bi\n0.318117 0.014105 0.642177 Bi\n0.818117 0.985895 0.857823 Bi\n0.681883 0.985895 0.357823 Bi\n0.094750 0.736875 0.237291 Bi\n0.405250 0.736875 0.737291 Bi\n0.905250 0.263125 0.762709 Bi\n0.594750 0.263125 0.262709 Bi\n0.970132 0.912008 0.276242 Bi\n0.529868 0.912008 0.776242 Bi\n0.029868 0.087992 0.723758 Bi\n0.470132 0.087992 0.223758 Bi\n0.057572 0.187526 0.187677 Bi\n0.442428 0.187526 0.687677 Bi\n0.942428 0.812474 0.812323 Bi\n0.557572 0.812474 0.312323 Bi\n0.128476 0.943001 0.354918 Bi\n0.371524 0.943001 0.854918 Bi\n0.871524 0.056999 0.645082 Bi\n0.628476 0.056999 0.145082 Bi\n0.033551 0.989153 0.089223 Ru\n0.466449 0.989153 0.589223 Ru\n0.966449 0.010847 0.910777 Ru\n0.533551 0.010847 0.410777 Ru\n0.805311 0.923434 0.145120 Br\n0.694689 0.923434 0.645120 Br\n0.194689 0.076566 0.854880 Br\n0.305311 0.076566 0.354880 Br\n0.039686 0.570934 0.087521 Br\n0.460314 0.570934 0.587521 Br\n0.960314 0.429066 0.912479 Br\n0.539686 0.429066 0.412479 Br\n0.402402 0.500034 0.961643 Cl\n0.097598 0.500034 0.461643 Cl\n0.597598 0.499966 0.038357 Cl\n0.902402 0.499966 0.538357 Cl\n0.351650 0.139011 0.016111 Cl\n0.148350 0.139011 0.516111 Cl\n0.648350 0.860989 0.983889 Cl\n0.851650 0.860989 0.483889 Cl\n0.313020 0.397684 0.794684 Cl\n0.186980 0.397684 0.294684 Cl\n0.686980 0.602316 0.205316 Cl\n0.813020 0.602316 0.705316 Cl\n0.217371 0.387419 0.002630 Cl\n0.282629 0.387419 0.502630 Cl\n0.782629 0.612581 0.997370 Cl\n0.717371 0.612581 0.497370 Cl\n0.273649 0.728346 0.065264 Cl\n0.226351 0.728346 0.565264 Cl\n0.726351 0.271654 0.934736 Cl\n0.773649 0.271654 0.434736 Cl\n0.459824 0.795830 0.076054 Cl\n0.040176 0.795830 0.576054 Cl\n0.540176 0.204170 0.923946 Cl\n0.959824 0.204170 0.423946 Cl\n0.392250 0.454289 0.205779 Cl\n0.107750 0.454289 0.705779 Cl\n0.607750 0.545711 0.794221 Cl\n0.892250 0.545711 0.294221 Cl\n0.348331 0.751037 0.271625 Cl\n0.151669 0.751037 0.771625 Cl\n0.651669 0.248963 0.728375 Cl\n0.848331 0.248963 0.228375 Cl\n",
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"formula_full": "Al8 Bi28 Ru4 Br8 Cl32",
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{
"id": "mp-1400159",
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"structure_string": "Al2 Bi3 O9\n1.0\n3.637476 0.000000 0.000000\n0.000000 3.637476 0.000000\n0.000000 0.000000 12.668513\nAl Bi O\n2 3 9\ndirect\n0.500000 0.500000 0.666442 Al\n0.500000 0.500000 0.333558 Al\n0.000000 0.000000 0.869185 Bi\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.130815 Bi\n0.500000 0.000000 0.649928 O\n0.500000 0.000000 0.350072 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.649928 O\n0.000000 0.500000 0.350072 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.815032 O\n0.500000 0.500000 0.500000 O\n0.500000 0.500000 0.184968 O\n",
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{
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{
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