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{
"id": "mp-770918",
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{
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"structure_string": "Na5 Li1 N2\n1.0\n4.429271 0.000000 0.000000\n0.000000 4.400267 0.000000\n0.000000 0.000650 7.672752\nNa Li N\n5 1 2\ndirect\n0.500000 0.394826 0.044142 Na\n0.000000 0.592925 0.881945 Na\n0.500000 0.591395 0.372126 Na\n0.000000 0.419179 0.543282 Na\n0.500000 0.001611 0.706005 Na\n0.000000 0.998592 0.212706 Li\n0.500000 0.501814 0.711640 N\n0.000000 0.496658 0.211153 N\n",
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"formula_full": "Na5 Li1 N2",
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},
{
"id": "mp-1037572",
"created_at": "2022-09-04T14:41:48.481633Z",
"structure_string": "Sr1 Mg30 Fe1 O32\n1.0\n8.613776 0.000000 0.000000\n0.000000 8.613776 0.000000\n0.000000 0.000000 8.594798\nSr Mg Fe O\n1 30 1 32\ndirect\n0.000000 0.000000 0.500000 Sr\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.256521 0.000000 0.245226 Mg\n0.256521 0.000000 0.754774 Mg\n0.743479 0.000000 0.245226 Mg\n0.743479 0.000000 0.754774 Mg\n0.250267 0.500000 0.249520 Mg\n0.250267 0.500000 0.750480 Mg\n0.749733 0.500000 0.249520 Mg\n0.749733 0.500000 0.750480 Mg\n0.000000 0.256521 0.245226 Mg\n0.000000 0.256521 0.754774 Mg\n0.500000 0.250267 0.249520 Mg\n0.500000 0.250267 0.750480 Mg\n0.000000 0.743479 0.245226 Mg\n0.000000 0.743479 0.754774 Mg\n0.500000 0.749733 0.249520 Mg\n0.500000 0.749733 0.750480 Mg\n0.249876 0.249876 0.000000 Mg\n0.254986 0.254986 0.500000 Mg\n0.750124 0.249876 0.000000 Mg\n0.745014 0.254986 0.500000 Mg\n0.249876 0.750124 0.000000 Mg\n0.254986 0.745014 0.500000 Mg\n0.750124 0.750124 0.000000 Mg\n0.745014 0.745014 0.500000 Mg\n0.000000 0.000000 0.000000 Fe\n0.000000 0.259488 0.000000 O\n0.000000 0.269455 0.500000 O\n0.500000 0.251195 0.000000 O\n0.500000 0.253572 0.500000 O\n0.000000 0.740512 0.000000 O\n0.000000 0.730545 0.500000 O\n0.500000 0.748805 0.000000 O\n0.500000 0.746428 0.500000 O\n0.249042 0.249042 0.250510 O\n0.249042 0.249042 0.749490 O\n0.750958 0.249042 0.250510 O\n0.750958 0.249042 0.749490 O\n0.249042 0.750958 0.250510 O\n0.249042 0.750958 0.749490 O\n0.750958 0.750958 0.250510 O\n0.750958 0.750958 0.749490 O\n0.000000 0.000000 0.231084 O\n0.000000 0.000000 0.768916 O\n0.500000 0.000000 0.247281 O\n0.500000 0.000000 0.752719 O\n0.000000 0.500000 0.247281 O\n0.000000 0.500000 0.752719 O\n0.500000 0.500000 0.249705 O\n0.500000 0.500000 0.750295 O\n0.259488 0.000000 0.000000 O\n0.269455 0.000000 0.500000 O\n0.740512 0.000000 0.000000 O\n0.730545 0.000000 0.500000 O\n0.251195 0.500000 0.000000 O\n0.253572 0.500000 0.500000 O\n0.748805 0.500000 0.000000 O\n0.746428 0.500000 0.500000 O\n",
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"spacegroup": 123
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{
"id": "mp-128",
"created_at": "2022-09-04T14:41:48.483009Z",
"structure_string": "Ge8\n1.0\n3.511326 -5.012402 0.000000\n3.511326 5.012402 0.000000\n-3.643856 0.000000 4.916898\nGe\n8\ndirect\n0.285519 0.285519 0.285519 Ge\n0.714481 0.714481 0.714481 Ge\n0.973070 0.469947 0.278233 Ge\n0.469947 0.278233 0.973070 Ge\n0.278233 0.973070 0.469947 Ge\n0.026930 0.530053 0.721767 Ge\n0.530053 0.721767 0.026930 Ge\n0.721767 0.026930 0.530053 Ge\n",
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{
"id": "mp-605691",
"created_at": "2022-09-04T14:41:48.484998Z",
"structure_string": "La4 P6 H14 O22\n1.0\n8.149453 0.000000 0.000000\n2.715032 8.410632 0.000000\n3.714036 3.396278 8.219599\nLa P H O\n4 6 14 22\ndirect\n0.402643 0.441812 0.352168 La\n0.162517 0.758635 0.002378 La\n0.837483 0.241365 0.997622 La\n0.597357 0.558188 0.647832 La\n0.016153 0.172476 0.655069 P\n0.983847 0.827524 0.344931 P\n0.833801 0.469479 0.259549 P\n0.166199 0.530521 0.740451 P\n0.605853 0.706860 0.900903 P\n0.394147 0.293140 0.099097 P\n0.672370 0.113753 0.474448 H\n0.474986 0.078640 0.569317 H\n0.716039 0.827368 0.853386 H\n0.628006 0.956782 0.206913 H\n0.947443 0.092302 0.595720 H\n0.327630 0.886247 0.525552 H\n0.422575 0.135448 0.868294 H\n0.525014 0.921360 0.430683 H\n0.032919 0.626911 0.661259 H\n0.967081 0.373089 0.338741 H\n0.577425 0.864552 0.131706 H\n0.283961 0.172632 0.146614 H\n0.052557 0.907698 0.404280 H\n0.371994 0.043218 0.793087 H\n0.479010 0.779528 0.790633 O\n0.960619 0.962367 0.178005 O\n0.219862 0.651583 0.785545 O\n0.909639 0.625239 0.115865 O\n0.335056 0.478542 0.613825 O\n0.494016 0.671654 0.079456 O\n0.806070 0.774432 0.470848 O\n0.641645 0.956718 0.102569 O\n0.442759 0.843103 0.462318 O\n0.358355 0.043282 0.897431 O\n0.780138 0.348417 0.214455 O\n0.557241 0.156897 0.537682 O\n0.272223 0.451598 0.132995 O\n0.131892 0.678043 0.313292 O\n0.727777 0.548402 0.867005 O\n0.505984 0.328346 0.920544 O\n0.520990 0.220472 0.209367 O\n0.090361 0.374761 0.884135 O\n0.664944 0.521458 0.386175 O\n0.868108 0.321957 0.686708 O\n0.039381 0.037633 0.821995 O\n0.193930 0.225568 0.529152 O\n",
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{
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"structure_string": "Dy12 Rh4\n1.0\n0.000000 0.000000 6.255324\n7.140850 0.000000 0.000000\n0.000000 9.532853 0.000000\nDy Rh\n12 4\ndirect\n0.330511 0.677793 0.062849 Dy\n0.169489 0.177793 0.437151 Dy\n0.669489 0.322207 0.562849 Dy\n0.830511 0.822207 0.937151 Dy\n0.669489 0.322207 0.937151 Dy\n0.830511 0.822207 0.562849 Dy\n0.330511 0.677793 0.437151 Dy\n0.169489 0.177793 0.062849 Dy\n0.866459 0.531229 0.250000 Dy\n0.633541 0.031229 0.250000 Dy\n0.133541 0.468771 0.750000 Dy\n0.366459 0.968771 0.750000 Dy\n0.061012 0.882411 0.250000 Rh\n0.438988 0.382411 0.250000 Rh\n0.938988 0.117589 0.750000 Rh\n0.561012 0.617589 0.750000 Rh\n",
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{
"id": "mp-1175226",
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n5.078809 0.000000 0.000000\n-1.648996 5.707278 0.000000\n-0.841554 -2.002063 7.460818\nLi Mn Co O\n7 4 1 12\ndirect\n0.493873 0.084984 0.839184 Li\n0.510607 0.580877 0.844349 Li\n0.508386 0.251153 0.497243 Li\n0.491657 0.747292 0.495657 Li\n0.492903 0.424133 0.157428 Li\n0.503296 0.912049 0.165619 Li\n0.001283 0.501597 0.002142 Li\n0.995887 0.995911 0.001866 Mn\n0.000180 0.168905 0.669972 Mn\n0.998002 0.662633 0.670464 Mn\n0.005963 0.342264 0.329214 Mn\n0.999374 0.826641 0.324167 Co\n0.220643 0.795891 0.907864 O\n0.219800 0.262869 0.909843 O\n0.214585 0.942558 0.591754 O\n0.232226 0.473234 0.574076 O\n0.230700 0.138359 0.237535 O\n0.234779 0.607975 0.258319 O\n0.777350 0.384602 0.739297 O\n0.764892 0.857298 0.761101 O\n0.774583 0.533723 0.426702 O\n0.785418 0.068440 0.421839 O\n0.767160 0.733478 0.079722 O\n0.776455 0.203135 0.094642 O\n",
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{
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"structure_string": "Ba3 Mg3 O6\n1.0\n2.987720 -5.174884 0.000000\n2.987720 5.174884 0.000000\n0.000000 0.000000 6.838510\nBa Mg O\n3 3 6\ndirect\n0.000000 0.653650 0.166667 Ba\n0.346350 0.346350 0.500000 Ba\n0.653650 0.000000 0.833333 Ba\n0.000000 0.574765 0.666667 Mg\n0.425235 0.425235 0.000000 Mg\n0.574765 0.000000 0.333333 Mg\n0.297598 0.869018 0.540124 O\n0.130982 0.428580 0.873457 O\n0.571420 0.702402 0.206791 O\n0.428580 0.130982 0.126543 O\n0.702402 0.571420 0.793209 O\n0.869018 0.297598 0.459876 O\n",
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{
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"structure_string": "Ba8 Ru6 O20\n1.0\n2.934969 -6.696688 0.000000\n2.934969 6.696688 0.000000\n0.000000 0.000000 13.302910\nBa Ru O\n8 6 20\ndirect\n0.965386 0.034614 0.639494 Ba\n0.034614 0.965386 0.360506 Ba\n0.534614 0.465386 0.139494 Ba\n0.465386 0.534614 0.860506 Ba\n0.259628 0.740372 0.613100 Ba\n0.740372 0.259628 0.386900 Ba\n0.240372 0.759628 0.113100 Ba\n0.759628 0.240372 0.886900 Ba\n0.624151 0.375849 0.649113 Ru\n0.375849 0.624151 0.350887 Ru\n0.875849 0.124151 0.149113 Ru\n0.124151 0.875849 0.850887 Ru\n0.500000 0.500000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.769427 0.230573 0.650315 O\n0.230573 0.769427 0.349685 O\n0.730573 0.269427 0.150315 O\n0.269427 0.730573 0.849685 O\n0.620762 0.840695 0.464785 O\n0.840695 0.620762 0.535215 O\n0.879238 0.659305 0.964785 O\n0.659305 0.879238 0.035215 O\n0.379238 0.159305 0.535215 O\n0.159305 0.379238 0.464785 O\n0.120762 0.340695 0.035215 O\n0.340695 0.120762 0.964785 O\n0.464808 0.535192 0.649861 O\n0.535192 0.464808 0.350139 O\n0.369346 0.130654 0.750000 O\n0.130654 0.369346 0.250000 O\n0.630654 0.869346 0.250000 O\n0.869346 0.630654 0.750000 O\n0.964808 0.035192 0.850139 O\n0.035192 0.964808 0.149861 O\n",
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{
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}