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{
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{
"id": "mp-1044107",
"created_at": "2022-09-04T14:40:54.690562Z",
"structure_string": "La4 Ta4 Zn4 Fe4 O24\n1.0\n-0.000158 0.045514 7.932559\n5.981161 5.459919 0.030176\n-5.973069 5.451191 0.030869\nLa Ta Zn Fe O\n4 4 4 4 24\ndirect\n0.252594 0.522687 0.453600 La\n0.252791 0.022634 0.953633 La\n0.752702 0.453341 0.022308 La\n0.753336 0.953469 0.522534 La\n0.496535 0.267423 0.730817 Ta\n0.496651 0.767232 0.230838 Ta\n0.996721 0.731075 0.767753 Ta\n0.996702 0.231311 0.267329 Ta\n0.247949 0.434029 0.047321 Zn\n0.248235 0.933801 0.547556 Zn\n0.748019 0.547436 0.433734 Zn\n0.748145 0.047475 0.933551 Zn\n0.005556 0.254903 0.732498 Fe\n0.505578 0.231932 0.254816 Fe\n0.005418 0.755135 0.233568 Fe\n0.505691 0.733010 0.754716 Fe\n0.761437 0.333769 0.298733 O\n0.761522 0.833811 0.798716 O\n0.261393 0.298485 0.833931 O\n0.261573 0.798832 0.333820 O\n0.939624 0.191350 0.015522 O\n0.939618 0.691239 0.515551 O\n0.439182 0.516144 0.191392 O\n0.439363 0.016077 0.691390 O\n0.553515 0.199563 0.991877 O\n0.553307 0.699398 0.492152 O\n0.053000 0.491744 0.199398 O\n0.053270 0.991366 0.699573 O\n0.736873 0.699390 0.208403 O\n0.736912 0.199440 0.708337 O\n0.236982 0.208770 0.199682 O\n0.236911 0.708350 0.699661 O\n0.552586 0.491391 0.808566 O\n0.553086 0.991284 0.308663 O\n0.052485 0.808886 0.992035 O\n0.052607 0.308875 0.491874 O\n0.952998 0.509310 0.808319 O\n0.953679 0.009437 0.308296 O\n0.453087 0.808121 0.008730 O\n0.452371 0.308077 0.508807 O\n",
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},
{
"id": "mp-1042508",
"created_at": "2022-09-04T14:40:54.769485Z",
"structure_string": "Ca4 Ti4 As8 O28\n1.0\n8.612487 0.000000 0.000000\n0.000000 8.195920 0.000000\n0.000000 5.221753 9.276856\nCa Ti As O\n4 4 8 28\ndirect\n0.070204 0.738740 0.904763 Ca\n0.570204 0.261260 0.595237 Ca\n0.929796 0.261260 0.095237 Ca\n0.429796 0.738740 0.404763 Ca\n0.938871 0.196093 0.717656 Ti\n0.438871 0.803907 0.782344 Ti\n0.061129 0.803907 0.282344 Ti\n0.561129 0.196093 0.217656 Ti\n0.760520 0.547858 0.754284 As\n0.260520 0.452142 0.745716 As\n0.239480 0.452142 0.245716 As\n0.739480 0.547858 0.254284 As\n0.682639 0.949092 0.959959 As\n0.182639 0.050908 0.540041 As\n0.317361 0.050908 0.040041 As\n0.817361 0.949092 0.459959 As\n0.671105 0.235080 0.072754 O\n0.171105 0.764920 0.427246 O\n0.328895 0.764920 0.927246 O\n0.828895 0.235080 0.572754 O\n0.580700 0.629608 0.765198 O\n0.080700 0.370392 0.734802 O\n0.419300 0.370392 0.234802 O\n0.919300 0.629608 0.265198 O\n0.889885 0.553556 0.872973 O\n0.389885 0.446444 0.627027 O\n0.110115 0.446444 0.127027 O\n0.610115 0.553556 0.372973 O\n0.818114 0.687372 0.572378 O\n0.318114 0.312628 0.927622 O\n0.181886 0.312628 0.427622 O\n0.681886 0.687372 0.072378 O\n0.901190 0.958612 0.301942 O\n0.401190 0.041388 0.198058 O\n0.098810 0.041388 0.698058 O\n0.598810 0.958612 0.801942 O\n0.750500 0.331530 0.266761 O\n0.250500 0.668470 0.233239 O\n0.249500 0.668470 0.733239 O\n0.749500 0.331530 0.766761 O\n0.618651 0.973602 0.395883 O\n0.118651 0.026398 0.104117 O\n0.381349 0.026398 0.604117 O\n0.881349 0.973602 0.895883 O\n",
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},
{
"id": "mp-554139",
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"structure_string": "Ba3 Ga2 Ge4 O14\n1.0\n4.354894 -7.542897 0.000000\n4.354894 7.542897 0.000000\n0.000000 0.000000 5.094355\nBa Ga Ge O\n3 2 4 14\ndirect\n0.573003 0.000000 0.000000 Ba\n0.426997 0.426997 0.000000 Ba\n0.000000 0.573003 0.000000 Ba\n0.666667 0.333333 0.500131 Ga\n0.333333 0.666667 0.499869 Ga\n0.000000 0.244633 0.500000 Ge\n0.244633 0.000000 0.500000 Ge\n0.755367 0.755367 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.284478 0.836838 0.651054 O\n0.836838 0.284478 0.348946 O\n0.333333 0.666667 0.151226 O\n0.097212 0.891945 0.230881 O\n0.794733 0.902788 0.230881 O\n0.205267 0.108055 0.769119 O\n0.552360 0.715522 0.651054 O\n0.163162 0.447640 0.651054 O\n0.666667 0.333333 0.848774 O\n0.715522 0.552360 0.348946 O\n0.891945 0.097212 0.769119 O\n0.447640 0.163162 0.348946 O\n0.902788 0.794733 0.769119 O\n0.108055 0.205267 0.230881 O\n",
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"chemical_system": "Ba-Ga-Ge-O",
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"formula_full": "Ba3 Ga2 Ge4 O14",
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"spacegroup": 150
},
{
"id": "mp-1205821",
"created_at": "2022-09-04T14:40:59.659386Z",
"structure_string": "La4 Co4\n1.0\n-3.483110 -3.483110 3.483110\n-3.483110 3.483110 -3.483110\n3.483110 -3.483110 -3.483110\nLa Co\n4 4\ndirect\n0.981025 0.981025 0.981025 La\n0.518975 0.000000 0.500000 La\n0.500000 0.518975 0.000000 La\n0.000000 0.500000 0.518975 La\n0.415980 0.415980 0.415980 Co\n0.084020 0.000000 0.500000 Co\n0.500000 0.084020 0.000000 Co\n0.000000 0.500000 0.084020 Co\n",
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{
"id": "mp-1218660",
"created_at": "2022-09-04T14:40:54.475329Z",
"structure_string": "Sr12 Yb8 Cd10 Sb20\n1.0\n2.370403 9.115284 0.000000\n-2.370403 9.115284 0.000000\n0.000000 0.036997 37.132913\nSr Yb Cd Sb\n12 8 10 20\ndirect\n0.301812 0.301812 0.805312 Sr\n0.301436 0.301436 0.604910 Sr\n0.301529 0.301529 0.404783 Sr\n0.301918 0.301918 0.205189 Sr\n0.301933 0.301933 0.005182 Sr\n0.698078 0.698078 0.905167 Sr\n0.698840 0.698840 0.705733 Sr\n0.699043 0.699043 0.505645 Sr\n0.698278 0.698278 0.305084 Sr\n0.698043 0.698043 0.105192 Sr\n0.520455 0.520455 0.644797 Sr\n0.520421 0.520421 0.444641 Sr\n0.479187 0.479187 0.944464 Yb\n0.479132 0.479132 0.745195 Yb\n0.478651 0.478651 0.544523 Yb\n0.478708 0.478708 0.343795 Yb\n0.479210 0.479210 0.144459 Yb\n0.520813 0.520813 0.844548 Yb\n0.520765 0.520765 0.244407 Yb\n0.520770 0.520770 0.044474 Yb\n0.095184 0.095184 0.978640 Cd\n0.095430 0.095430 0.779244 Cd\n0.095949 0.095949 0.578688 Cd\n0.095658 0.095658 0.378050 Cd\n0.095184 0.095184 0.178625 Cd\n0.904827 0.904827 0.878661 Cd\n0.903247 0.903247 0.678914 Cd\n0.903199 0.903199 0.478857 Cd\n0.904787 0.904787 0.278598 Cd\n0.904855 0.904855 0.078650 Cd\n0.328391 0.328391 0.901742 Sb\n0.328290 0.328290 0.701935 Sb\n0.328203 0.328203 0.501764 Sb\n0.328311 0.328311 0.301551 Sb\n0.328377 0.328377 0.101741 Sb\n0.671864 0.671864 0.801871 Sb\n0.674783 0.674783 0.600497 Sb\n0.674556 0.674556 0.400276 Sb\n0.671622 0.671622 0.201690 Sb\n0.671647 0.671647 0.001699 Sb\n0.062635 0.062635 0.900588 Sb\n0.063563 0.063563 0.702506 Sb\n0.063647 0.063647 0.502322 Sb\n0.062707 0.062707 0.300428 Sb\n0.062661 0.062661 0.100586 Sb\n0.937251 0.937251 0.800742 Sb\n0.934619 0.934619 0.599333 Sb\n0.934734 0.934734 0.399202 Sb\n0.937421 0.937421 0.200612 Sb\n0.937374 0.937374 0.000609 Sb\n",
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"formula_full": "Sr12 Yb8 Cd10 Sb20",
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{
"id": "mp-752711",
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"structure_string": "Ba4 Sr8 I24\n1.0\n9.981158 0.000000 0.000000\n0.000000 9.988363 0.000000\n0.000000 8.258626 16.251030\nBa Sr I\n4 8 24\ndirect\n0.690083 0.913824 0.414669 Ba\n0.190083 0.086176 0.085331 Ba\n0.809917 0.913824 0.914669 Ba\n0.309917 0.086176 0.585331 Ba\n0.663786 0.312327 0.081436 Sr\n0.959532 0.625542 0.743392 Sr\n0.459532 0.374458 0.756608 Sr\n0.163786 0.687673 0.418564 Sr\n0.836214 0.312327 0.581436 Sr\n0.540468 0.625542 0.243392 Sr\n0.040468 0.374458 0.256608 Sr\n0.336214 0.687673 0.918564 Sr\n0.346345 0.950313 0.436807 I\n0.305983 0.693363 0.723931 I\n0.669865 0.614358 0.878120 I\n0.971358 0.772731 0.542994 I\n0.094344 0.443702 0.922247 I\n0.018801 0.035126 0.274056 I\n0.518801 0.964874 0.225944 I\n0.471358 0.227269 0.957006 I\n0.594344 0.556298 0.577753 I\n0.169865 0.385642 0.621880 I\n0.805983 0.306637 0.776069 I\n0.846345 0.049687 0.063193 I\n0.153655 0.950313 0.936807 I\n0.194017 0.693363 0.223931 I\n0.830135 0.614358 0.378120 I\n0.405656 0.443702 0.422247 I\n0.528642 0.772731 0.042994 I\n0.481199 0.035126 0.774056 I\n0.981199 0.964874 0.725944 I\n0.905656 0.556298 0.077753 I\n0.028642 0.227269 0.457006 I\n0.330135 0.385642 0.121880 I\n0.694017 0.306637 0.276069 I\n0.653655 0.049687 0.563193 I\n",
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"formula_full": "Ba4 Sr8 I24",
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{
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"created_at": "2022-09-04T14:40:54.510103Z",
"structure_string": "Tm1 Tl1 Rh2\n1.0\n0.000000 3.328542 3.328542\n3.328542 0.000000 3.328542\n3.328542 3.328542 0.000000\nTm Tl Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tl\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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{
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{
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"elements": [
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],
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"formula_full": "Ba2 Fe4 P4 O16",
"formula_reduced": "BaFe2(PO4)2",
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{
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"created_at": "2022-09-04T14:40:54.492414Z",
"structure_string": "Rb4 Sb8 P4 O32\n1.0\n3.614976 6.342495 0.000000\n-3.614976 6.342495 0.000000\n0.000000 1.749799 15.165253\nRb Sb P O\n4 8 4 32\ndirect\n0.681283 0.922696 0.920391 Rb\n0.922696 0.681283 0.420391 Rb\n0.740815 0.980037 0.646930 Rb\n0.980037 0.740815 0.146930 Rb\n0.211234 0.956739 0.785409 Sb\n0.956739 0.211234 0.285409 Sb\n0.377570 0.642233 0.595380 Sb\n0.642233 0.377570 0.095380 Sb\n0.708643 0.453960 0.778599 Sb\n0.453960 0.708643 0.278599 Sb\n0.024803 0.287857 0.968525 Sb\n0.287857 0.024803 0.468525 Sb\n0.119996 0.344866 0.638001 P\n0.344866 0.119996 0.138001 P\n0.321761 0.544781 0.925740 P\n0.544781 0.321761 0.425740 P\n0.395731 0.492508 0.357277 O\n0.492507 0.395731 0.857277 O\n0.177207 0.810998 0.691939 O\n0.810998 0.177207 0.191939 O\n0.849839 0.490621 0.873624 O\n0.490621 0.849839 0.373624 O\n0.162087 0.761573 0.880067 O\n0.761573 0.162087 0.380067 O\n0.525990 0.769834 0.779574 O\n0.769834 0.525990 0.279574 O\n0.427145 0.581593 0.000221 O\n0.581593 0.427145 0.500221 O\n0.213695 0.482169 0.596129 O\n0.482169 0.213695 0.096129 O\n0.168538 0.271876 0.204431 O\n0.271876 0.168538 0.704431 O\n0.498063 0.832658 0.559186 O\n0.832658 0.498063 0.059186 O\n0.895136 0.138697 0.785119 O\n0.138697 0.895136 0.285119 O\n0.187621 0.447486 0.968429 O\n0.447486 0.187621 0.468429 O\n0.905984 0.503838 0.685655 O\n0.503838 0.905984 0.185655 O\n0.836913 0.165651 0.005524 O\n0.165651 0.836913 0.505524 O\n0.090580 0.242088 0.385497 O\n0.242088 0.090580 0.885497 O\n0.582410 0.422518 0.675667 O\n0.422518 0.582410 0.175667 O\n0.079816 0.241780 0.563369 O\n0.241780 0.079816 0.063369 O\n",
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{
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"structure_string": "Pr1 Y1 Mg2\n1.0\n3.845048 0.000000 0.000000\n0.000000 3.845048 0.000000\n0.000000 0.000000 7.749488\nPr Y Mg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Pr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.244096 Mg\n0.500000 0.500000 0.755904 Mg\n",
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],
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]
}