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{
"id": "mp-1032800",
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"structure_string": "Mg6 Mn1 Nb1 O8\n1.0\n8.832191 0.000000 -0.000000\n0.000000 4.334518 -0.000000\n0.000000 0.000000 4.334518\nMg Mn Nb O\n6 1 1 8\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246514 0.000000 0.500000 Mg\n0.753486 -0.000000 0.500000 Mg\n0.246514 0.500000 0.000000 Mg\n0.753486 0.500000 -0.000000 Mg\n0.000000 -0.000000 -0.000000 Mn\n0.500000 -0.000000 -0.000000 Nb\n0.244998 -0.000000 0.000000 O\n0.755002 0.000000 -0.000000 O\n0.250609 0.500000 0.500000 O\n0.749391 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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"nsites": 40,
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"density": 3.5101663188091785,
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"formula_full": "Mn4 As8 O28",
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"spacegroup": 14
},
{
"id": "mp-818591",
"created_at": "2022-09-04T14:44:15.983064Z",
"structure_string": "Mn2 V4 Pb4 O16\n1.0\n-0.000197 6.637602 -0.000101\n7.480171 -0.000224 -0.364373\n-3.902745 0.000201 -8.253932\nMn V Pb O\n2 4 4 16\ndirect\n0.499927 0.000256 0.999836 Mn\n0.999450 0.999451 0.000054 Mn\n0.250024 0.554494 0.847986 V\n0.749936 0.445640 0.152026 V\n0.249948 0.954510 0.665646 V\n0.749944 0.045479 0.334393 V\n0.250050 0.735300 0.261150 Pb\n0.749960 0.264384 0.738731 Pb\n0.250370 0.351911 0.476438 Pb\n0.750372 0.648062 0.523577 Pb\n0.249769 0.711703 0.540779 O\n0.749849 0.288359 0.459255 O\n0.250054 0.070039 0.534743 O\n0.749986 0.930073 0.465355 O\n0.250116 0.455952 0.986488 O\n0.749958 0.544156 0.013511 O\n0.249873 0.813044 0.953077 O\n0.749848 0.187104 0.046922 O\n0.472617 0.012294 0.780785 O\n0.527689 0.987659 0.218916 O\n0.972518 0.987685 0.219178 O\n0.027607 0.012357 0.781084 O\n0.457311 0.476103 0.717546 O\n0.542737 0.524082 0.282560 O\n0.957253 0.523977 0.282433 O\n0.042835 0.475925 0.717530 O\n",
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"formula_full": "Mn2 V4 Pb4 O16",
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"spacegroup": 11
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{
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"created_at": "2022-09-04T14:44:10.448608Z",
"structure_string": "Fe6 B2 O10\n1.0\n3.104292 0.000000 0.000000\n0.000000 5.587819 0.000000\n0.000000 0.631312 10.778812\nFe B O\n6 2 10\ndirect\n0.500000 0.719922 0.227351 Fe\n0.500000 0.280078 0.772649 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.785494 0.742340 B\n0.000000 0.214506 0.257660 B\n0.000000 0.204805 0.387072 O\n0.500000 0.321464 0.587673 O\n0.000000 0.795195 0.612928 O\n0.500000 0.678536 0.412327 O\n0.000000 0.996493 0.803448 O\n0.000000 0.003507 0.196552 O\n0.500000 0.267135 0.968433 O\n0.000000 0.563704 0.807953 O\n0.000000 0.436296 0.192047 O\n0.500000 0.732865 0.031567 O\n",
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"formula_full": "Fe6 B2 O10",
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"spacegroup": 10
},
{
"id": "mp-1031798",
"created_at": "2022-09-04T14:44:16.120605Z",
"structure_string": "Y1 Mg6 Mn1 O8\n1.0\n8.951769 0.000000 0.000000\n0.000000 4.468489 0.000000\n0.000000 0.000000 4.468489\nY Mg Mn O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Y\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.236105 0.000000 0.500000 Mg\n0.763895 0.000000 0.500000 Mg\n0.236105 0.500000 0.000000 Mg\n0.763895 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.246216 0.000000 0.000000 O\n0.753784 0.000000 0.000000 O\n0.247912 0.500000 0.500000 O\n0.752088 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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"structure_string": "Ge8 I32\n1.0\n12.925826 0.000000 0.000000\n0.000000 12.925826 0.000000\n0.000000 0.000000 12.925826\nGe I\n8 32\ndirect\n0.130743 0.130743 0.130743 Ge\n0.369257 0.869257 0.630743 Ge\n0.630743 0.369257 0.869257 Ge\n0.869257 0.630743 0.369257 Ge\n0.869257 0.869257 0.869257 Ge\n0.630743 0.130743 0.369257 Ge\n0.369257 0.630743 0.130743 Ge\n0.130743 0.369257 0.630743 Ge\n0.244139 0.244139 0.244139 I\n0.255861 0.755861 0.744139 I\n0.744139 0.255861 0.755861 I\n0.755861 0.744139 0.255861 I\n0.755861 0.755861 0.755861 I\n0.744139 0.244139 0.255861 I\n0.255861 0.744139 0.244139 I\n0.244139 0.255861 0.744139 I\n0.024203 0.010552 0.244719 I\n0.244719 0.024203 0.010552 I\n0.010552 0.244719 0.024203 I\n0.489448 0.755281 0.524203 I\n0.744719 0.475797 0.989448 I\n0.989448 0.744719 0.475797 I\n0.255281 0.975797 0.510552 I\n0.755281 0.524203 0.489448 I\n0.510552 0.255281 0.975797 I\n0.524203 0.489448 0.755281 I\n0.975797 0.510552 0.255281 I\n0.475797 0.989448 0.744719 I\n0.975797 0.989448 0.755281 I\n0.755281 0.975797 0.989448 I\n0.989448 0.755281 0.975797 I\n0.510552 0.244719 0.475797 I\n0.255281 0.524203 0.010552 I\n0.010552 0.255281 0.524203 I\n0.744719 0.024203 0.489448 I\n0.244719 0.475797 0.510552 I\n0.489448 0.744719 0.024203 I\n0.475797 0.510552 0.244719 I\n0.024203 0.489448 0.744719 I\n0.524203 0.010552 0.255281 I\n",
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{
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"structure_string": "Al8 Ga8 O24\n1.0\n5.001676 0.000000 0.000000\n0.000000 8.601477 0.000000\n0.000000 0.000000 9.277844\nAl Ga O\n8 8 24\ndirect\n0.171465 0.154299 0.000962 Al\n0.182096 0.836752 0.804623 Al\n0.317904 0.336752 0.304623 Al\n0.328535 0.654299 0.500962 Al\n0.671465 0.345701 0.000962 Al\n0.682096 0.663248 0.804623 Al\n0.817904 0.163248 0.304623 Al\n0.828535 0.845701 0.500962 Al\n0.169382 0.467835 0.798467 Ga\n0.187885 0.149230 0.583632 Ga\n0.312115 0.649230 0.083632 Ga\n0.330618 0.967835 0.298467 Ga\n0.669382 0.032165 0.798467 Ga\n0.687885 0.350770 0.583632 Ga\n0.812115 0.850770 0.083632 Ga\n0.830618 0.532165 0.298467 Ga\n0.005987 0.326792 0.942306 O\n0.009082 0.010198 0.430145 O\n0.020457 0.677503 0.918071 O\n0.158404 0.829343 0.170127 O\n0.147392 0.164550 0.194665 O\n0.160141 0.492818 0.201391 O\n0.339859 0.992818 0.701391 O\n0.352608 0.664550 0.694665 O\n0.341596 0.329343 0.670127 O\n0.479543 0.177503 0.418071 O\n0.490918 0.510198 0.930145 O\n0.494013 0.826792 0.442306 O\n0.505987 0.173208 0.942306 O\n0.509082 0.489802 0.430145 O\n0.520457 0.822497 0.918071 O\n0.658404 0.670657 0.170127 O\n0.647392 0.335450 0.194665 O\n0.660141 0.007182 0.201391 O\n0.839859 0.507182 0.701391 O\n0.852608 0.835450 0.694665 O\n0.841596 0.170657 0.670127 O\n0.979543 0.322497 0.418071 O\n0.990918 0.989802 0.930145 O\n0.994013 0.673208 0.442306 O\n",
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{
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"structure_string": "Ba6 Y3 Fe6 F33\n1.0\n3.961589 -6.861673 0.000000\n3.961589 6.861673 0.000000\n0.000000 0.000000 13.717726\nBa Y Fe F\n6 3 6 33\ndirect\n0.887013 0.857562 0.665039 Ba\n0.513155 0.187415 0.815606 Ba\n0.970548 0.112987 0.998373 Ba\n0.812585 0.325741 0.482273 Ba\n0.674259 0.486845 0.148939 Ba\n0.142438 0.029452 0.331706 Ba\n0.467664 0.672747 0.893004 Y\n0.205083 0.532336 0.226337 Y\n0.327253 0.794917 0.559670 Y\n0.966843 0.660959 0.886109 Fe\n0.105674 0.404900 0.723116 Fe\n0.595100 0.700774 0.389783 Fe\n0.694116 0.033157 0.219442 Fe\n0.299226 0.894326 0.056449 Fe\n0.339041 0.305884 0.552776 Fe\n0.007138 0.762571 0.030974 F\n0.840932 0.383282 0.927546 F\n0.755433 0.992862 0.364307 F\n0.423996 0.086869 0.491009 F\n0.898552 0.965652 0.178754 F\n0.285289 0.313256 0.191056 F\n0.913131 0.337127 0.157676 F\n0.686744 0.972033 0.857723 F\n0.067100 0.101448 0.512088 F\n0.590881 0.006283 0.074807 F\n0.662873 0.576004 0.824343 F\n0.237429 0.244567 0.697641 F\n0.651366 0.691057 0.009534 F\n0.364405 0.167918 0.007240 F\n0.039690 0.348634 0.342867 F\n0.616718 0.457650 0.594213 F\n0.291541 0.820207 0.902405 F\n0.415402 0.409119 0.408140 F\n0.327103 0.725914 0.393060 F\n0.308943 0.960310 0.676201 F\n0.398811 0.672897 0.726393 F\n0.832082 0.196486 0.673907 F\n0.803514 0.635595 0.340574 F\n0.528666 0.708459 0.235738 F\n0.993717 0.584598 0.741473 F\n0.034348 0.932900 0.845421 F\n0.542350 0.159068 0.260880 F\n0.201494 0.388505 0.868712 F\n0.187011 0.798506 0.202045 F\n0.274086 0.601189 0.059727 F\n0.027967 0.714711 0.524389 F\n0.179793 0.471334 0.569071 F\n0.611495 0.812989 0.535379 F\n",
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{
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