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{
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"structure_string": "Mg30 Al1 Si1 O32\n1.0\n8.490636 0.000000 0.000000\n0.000000 8.490636 0.000000\n0.000000 0.000000 8.679143\nMg Al Si O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.248009 0.250272 Mg\n0.000000 0.248009 0.749728 Mg\n0.000000 0.751991 0.250272 Mg\n0.000000 0.751991 0.749728 Mg\n0.500000 0.249538 0.250253 Mg\n0.500000 0.249538 0.749747 Mg\n0.500000 0.750462 0.250253 Mg\n0.500000 0.750462 0.749747 Mg\n0.248009 0.000000 0.250272 Mg\n0.248009 0.000000 0.749728 Mg\n0.249538 0.500000 0.250253 Mg\n0.249538 0.500000 0.749747 Mg\n0.751991 0.000000 0.250272 Mg\n0.751991 0.000000 0.749728 Mg\n0.750462 0.500000 0.250253 Mg\n0.750462 0.500000 0.749747 Mg\n0.250169 0.250169 0.000000 Mg\n0.250955 0.250955 0.500000 Mg\n0.250169 0.749831 0.000000 Mg\n0.250955 0.749045 0.500000 Mg\n0.749831 0.250169 0.000000 Mg\n0.749045 0.250955 0.500000 Mg\n0.749831 0.749831 0.000000 Mg\n0.749045 0.749045 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Si\n0.244424 0.000000 0.000000 O\n0.261874 0.000000 0.500000 O\n0.249322 0.500000 0.000000 O\n0.251528 0.500000 0.500000 O\n0.755576 0.000000 0.000000 O\n0.738126 0.000000 0.500000 O\n0.750678 0.500000 0.000000 O\n0.748472 0.500000 0.500000 O\n0.249525 0.249525 0.250368 O\n0.249525 0.249525 0.749632 O\n0.249525 0.750475 0.250368 O\n0.249525 0.750475 0.749632 O\n0.750475 0.249525 0.250368 O\n0.750475 0.249525 0.749632 O\n0.750475 0.750475 0.250368 O\n0.750475 0.750475 0.749632 O\n0.000000 0.000000 0.203543 O\n0.000000 0.000000 0.796457 O\n0.000000 0.500000 0.246210 O\n0.000000 0.500000 0.753790 O\n0.500000 0.000000 0.246210 O\n0.500000 0.000000 0.753790 O\n0.500000 0.500000 0.248717 O\n0.500000 0.500000 0.751283 O\n0.000000 0.244424 0.000000 O\n0.000000 0.261874 0.500000 O\n0.000000 0.755576 0.000000 O\n0.000000 0.738126 0.500000 O\n0.500000 0.249322 0.000000 O\n0.500000 0.251528 0.500000 O\n0.500000 0.750678 0.000000 O\n0.500000 0.748472 0.500000 O\n",
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{
"id": "mp-1246787",
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"structure_string": "Mg2 Cr1 Ga3 S8\n1.0\n6.327706 -0.000041 3.653390\n2.109215 5.981606 3.653360\n0.000038 -0.000010 7.306716\nMg Cr Ga S\n2 1 3 8\ndirect\n0.874688 0.875922 0.874703 Mg\n0.125315 0.124087 0.125299 Mg\n0.500012 0.000002 0.499979 Cr\n0.499991 0.500018 0.499987 Ga\n0.499995 0.499994 0.000000 Ga\n0.000003 0.499982 0.500028 Ga\n0.734650 0.744780 0.734659 S\n0.265341 0.255215 0.714090 S\n0.261011 0.716956 0.261021 S\n0.714097 0.255231 0.265334 S\n0.738969 0.283057 0.738976 S\n0.285913 0.744774 0.734657 S\n0.265346 0.255210 0.265359 S\n0.734674 0.744768 0.285910 S\n",
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},
{
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{
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"structure_string": "Sr8 Ni4 Se8 Cl8 O24\n1.0\n5.416781 0.004986 -0.264293\n0.011724 13.037212 -0.006260\n-0.056066 -0.006012 12.431769\nSr Ni Se Cl O\n8 4 8 8 24\ndirect\n0.484549 0.398767 0.265649 Sr\n0.484547 0.898866 0.265656 Sr\n0.515415 0.101187 0.734367 Sr\n0.515504 0.601208 0.734349 Sr\n0.014862 0.148808 0.234354 Sr\n0.014967 0.648791 0.234344 Sr\n0.985075 0.351138 0.765674 Sr\n0.985085 0.851225 0.765647 Sr\n0.499986 0.749973 0.999989 Ni\n0.999987 0.499998 0.499985 Ni\n0.500020 0.250012 0.000046 Ni\n0.999794 0.999835 0.499983 Ni\n0.504355 0.130175 0.426383 Se\n0.504391 0.630214 0.426448 Se\n0.005195 0.119651 0.926678 Se\n0.005240 0.619629 0.926668 Se\n0.994806 0.380377 0.073328 Se\n0.994822 0.880375 0.073316 Se\n0.495560 0.369798 0.573576 Se\n0.495726 0.869890 0.573665 Se\n0.449372 0.410533 0.896597 Cl\n0.449351 0.910534 0.896532 Cl\n0.550647 0.089454 0.103377 Cl\n0.550630 0.589438 0.103463 Cl\n0.050852 0.160740 0.603263 Cl\n0.050829 0.660769 0.603351 Cl\n0.949131 0.339249 0.396673 Cl\n0.949205 0.839275 0.396746 Cl\n0.256794 0.185704 0.879008 O\n0.256802 0.685712 0.879025 O\n0.743307 0.314269 0.120978 O\n0.743256 0.814276 0.120976 O\n0.756347 0.063675 0.378828 O\n0.756465 0.563773 0.378885 O\n0.243496 0.436249 0.621101 O\n0.243526 0.936276 0.621103 O\n0.279874 0.036295 0.394726 O\n0.279976 0.536322 0.394727 O\n0.778897 0.212836 0.894948 O\n0.778875 0.712810 0.894932 O\n0.221077 0.287183 0.105049 O\n0.221066 0.787152 0.105023 O\n0.720031 0.463687 0.605279 O\n0.720239 0.963818 0.605252 O\n0.936335 0.035594 0.824465 O\n0.936343 0.535585 0.824456 O\n0.566403 0.285626 0.675592 O\n0.566464 0.785739 0.675702 O\n0.433571 0.214312 0.324321 O\n0.433611 0.714382 0.324420 O\n0.063676 0.464417 0.175552 O\n0.063665 0.964400 0.175546 O\n",
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],
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"volume": 877.7339802512813,
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"formula_full": "Sr8 Ni4 Se8 Cl8 O24",
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{
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"structure_string": "Eu1 Si2\n1.0\n2.057937 -3.564451 0.000000\n2.057937 3.564451 0.000000\n0.000000 0.000000 4.227193\nEu Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.666667 0.333333 0.500000 Si\n0.333333 0.666667 0.500000 Si\n",
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{
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"structure_string": "Nd2 Co19 Si3\n1.0\n4.884777 5.750562 0.000000\n-4.884777 5.750562 0.000000\n0.000000 3.386064 5.284479\nNd Co Si\n2 19 3\ndirect\n0.748074 0.748074 0.126677 Nd\n0.251926 0.251926 0.873323 Nd\n0.252384 0.252384 0.374403 Co\n0.747616 0.747616 0.625597 Co\n0.919808 0.168600 0.769431 Co\n0.168600 0.919808 0.769431 Co\n0.419442 0.832567 0.937342 Co\n0.832567 0.419442 0.937342 Co\n0.329460 0.581506 0.357881 Co\n0.581506 0.329460 0.357881 Co\n0.669805 0.078962 0.689474 Co\n0.078962 0.669805 0.689474 Co\n0.080192 0.831400 0.230569 Co\n0.831400 0.080192 0.230569 Co\n0.580558 0.167433 0.062658 Co\n0.167433 0.580558 0.062658 Co\n0.670540 0.418494 0.642119 Co\n0.418494 0.670540 0.642119 Co\n0.330195 0.921038 0.310526 Co\n0.921038 0.330195 0.310526 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Si\n0.500000 0.000000 0.500000 Si\n0.000000 0.000000 0.500000 Si\n",
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{
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{
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{
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"structure_string": "K4 Y2 Sb2 O14\n1.0\n-4.055902 4.214496 5.691369\n4.055902 -4.214496 5.691369\n4.055902 4.214496 -5.691369\nK Y Sb O\n4 2 2 14\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.000000 Y\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.379160 0.083928 0.295233 O\n0.711305 0.416072 0.295233 O\n0.679516 0.287481 0.744040 O\n0.956559 0.212519 0.392036 O\n0.956559 0.564523 0.744040 O\n0.679516 0.935477 0.392036 O\n0.320484 0.064523 0.607964 O\n0.043441 0.435477 0.255960 O\n0.043441 0.787481 0.607964 O\n0.320484 0.712519 0.255960 O\n0.886276 0.750000 0.136276 O\n0.620840 0.916072 0.704767 O\n0.288695 0.583928 0.704767 O\n0.113724 0.250000 0.863724 O\n",
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