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{
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{
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"structure_string": "Li8 Fe4 F20\n1.0\n5.121093 0.000000 0.000000\n0.000000 8.126502 0.000000\n0.000000 0.000000 9.814876\nLi Fe F\n8 4 20\ndirect\n0.525729 0.362266 0.066550 Li\n0.445290 0.384622 0.735511 Li\n0.554710 0.884622 0.764489 Li\n0.474271 0.862266 0.433450 Li\n0.025729 0.137734 0.933450 Li\n0.945290 0.115378 0.264489 Li\n0.054710 0.615378 0.235511 Li\n0.974271 0.637734 0.566550 Li\n0.458061 0.965886 0.117898 Fe\n0.541939 0.465886 0.382102 Fe\n0.958061 0.534114 0.882102 Fe\n0.041939 0.034114 0.617898 Fe\n0.728536 0.922878 0.563911 F\n0.742369 0.662363 0.380661 F\n0.713060 0.670669 0.790694 F\n0.638248 0.407525 0.562089 F\n0.634363 0.977627 0.290318 F\n0.365637 0.477627 0.209682 F\n0.361752 0.907525 0.937911 F\n0.286940 0.170669 0.709306 F\n0.257631 0.162363 0.119339 F\n0.271464 0.422878 0.936089 F\n0.228536 0.577122 0.436089 F\n0.242369 0.837637 0.619339 F\n0.213060 0.829331 0.209306 F\n0.138248 0.092475 0.437911 F\n0.134363 0.522373 0.709682 F\n0.865637 0.022373 0.790318 F\n0.861752 0.592475 0.062089 F\n0.786940 0.329331 0.290694 F\n0.757631 0.337637 0.880661 F\n0.771464 0.077122 0.063911 F\n",
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{
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"structure_string": "Sr2 La2 Cu2 Ru2 O12\n1.0\n0.000000 -5.812422 0.000000\n-5.703432 0.000000 -0.009193\n-0.013200 0.000000 -7.708990\nSr La Cu Ru O\n2 2 2 2 12\ndirect\n0.466508 0.503006 0.751633 Sr\n0.033492 0.003006 0.251633 Sr\n0.945713 0.988357 0.753075 La\n0.554287 0.488357 0.253075 La\n0.485300 0.996049 0.002762 Cu\n0.014700 0.496049 0.502762 Cu\n0.490737 0.000064 0.500344 Ru\n0.009263 0.500064 0.000344 Ru\n0.018193 0.407620 0.750913 O\n0.526726 0.067787 0.750323 O\n0.973274 0.567787 0.250323 O\n0.481807 0.907620 0.250913 O\n0.197333 0.783759 0.955093 O\n0.704504 0.731269 0.536564 O\n0.761460 0.208524 0.456527 O\n0.289777 0.313564 0.042767 O\n0.795496 0.231269 0.036564 O\n0.302667 0.283759 0.455093 O\n0.210223 0.813564 0.542767 O\n0.738540 0.708524 0.956527 O\n",
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{
"id": "mp-1064731",
"created_at": "2022-09-04T14:40:29.031921Z",
"structure_string": "Ti2 Mn1 Ga1\n1.0\n0.000000 3.112259 3.112259\n3.112259 0.000000 3.112259\n3.112259 3.112259 0.000000\nTi Mn Ga\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Ti\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Ga\n",
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{
"id": "mp-1181887",
"created_at": "2022-09-04T14:40:30.123809Z",
"structure_string": "K12 Mo16 C4 S4 N4 O64\n1.0\n10.542126 0.000000 -2.248069\n0.000000 15.307735 0.000000\n-0.033026 0.000000 11.832812\nK Mo C S N O\n12 16 4 4 4 64\ndirect\n0.201690 0.301777 0.021739 K\n0.798310 0.801777 0.478261 K\n0.798310 0.698223 0.978261 K\n0.201690 0.198223 0.521739 K\n0.545350 0.363379 0.465032 K\n0.454650 0.863379 0.034968 K\n0.454650 0.636621 0.534968 K\n0.545350 0.136621 0.965032 K\n0.793002 0.352353 0.855426 K\n0.206998 0.852353 0.644574 K\n0.206998 0.647647 0.144574 K\n0.793002 0.147647 0.355426 K\n0.938479 0.397470 0.448492 Mo\n0.061521 0.897470 0.051508 Mo\n0.061521 0.602530 0.551508 Mo\n0.938479 0.102530 0.948492 Mo\n0.917229 0.451915 0.159329 Mo\n0.082771 0.951915 0.340671 Mo\n0.082771 0.548085 0.840671 Mo\n0.917229 0.048085 0.659329 Mo\n0.250114 0.430736 0.614744 Mo\n0.749886 0.930736 0.885256 Mo\n0.749886 0.569264 0.385256 Mo\n0.250114 0.069264 0.114744 Mo\n0.208650 0.448920 0.327564 Mo\n0.791350 0.948920 0.172436 Mo\n0.791350 0.551080 0.672436 Mo\n0.208650 0.051080 0.827564 Mo\n0.667645 0.328807 0.170038 C\n0.332355 0.828807 0.329962 C\n0.332355 0.671193 0.829962 C\n0.667645 0.171193 0.670038 C\n0.547282 0.271840 0.187977 S\n0.452718 0.771840 0.312023 S\n0.452718 0.728160 0.812023 S\n0.547282 0.228160 0.687977 S\n0.756019 0.370032 0.155386 N\n0.243981 0.870032 0.344614 N\n0.243981 0.629968 0.844614 N\n0.756019 0.129968 0.655386 N\n0.812734 0.323287 0.433057 O\n0.187266 0.823287 0.066943 O\n0.187266 0.676713 0.566943 O\n0.812734 0.176713 0.933057 O\n0.967308 0.379269 0.063555 O\n0.032692 0.879269 0.436445 O\n0.032692 0.620731 0.936445 O\n0.967308 0.120731 0.563555 O\n0.833211 0.532343 0.071764 O\n0.166789 0.032343 0.428236 O\n0.166789 0.467657 0.928236 O\n0.833211 0.967657 0.571764 O\n0.385297 0.496968 0.633481 O\n0.614703 0.996968 0.866519 O\n0.614703 0.503032 0.366519 O\n0.385297 0.003032 0.133481 O\n0.295115 0.343826 0.708479 O\n0.704885 0.843826 0.791521 O\n0.704885 0.656174 0.291521 O\n0.295115 0.156174 0.208479 O\n0.314598 0.537222 0.348375 O\n0.685402 0.037222 0.151625 O\n0.685402 0.462778 0.651625 O\n0.314598 0.962778 0.848375 O\n0.263101 0.380957 0.231145 O\n0.736899 0.880957 0.268855 O\n0.736899 0.619043 0.768855 O\n0.263101 0.119043 0.731145 O\n0.058733 0.352201 0.559939 O\n0.941267 0.852201 0.940061 O\n0.941267 0.647799 0.440061 O\n0.058733 0.147799 0.059939 O\n0.074317 0.512168 0.217854 O\n0.925683 0.012168 0.282146 O\n0.925683 0.487832 0.782146 O\n0.074317 0.987832 0.717854 O\n0.272755 0.378920 0.466590 O\n0.727245 0.878920 0.033410 O\n0.727245 0.621080 0.533410 O\n0.272755 0.121080 0.966590 O\n0.856248 0.491641 0.314873 O\n0.143752 0.991641 0.185127 O\n0.143752 0.508359 0.685127 O\n0.856248 0.008359 0.814873 O\n0.019716 0.373310 0.319337 O\n0.980284 0.873310 0.180663 O\n0.980284 0.626690 0.680663 O\n0.019716 0.126690 0.819337 O\n0.115844 0.505063 0.468968 O\n0.884156 0.005063 0.031032 O\n0.884156 0.494937 0.531032 O\n0.115844 0.994937 0.968968 O\n0.477834 0.351766 0.930688 O\n0.522166 0.851766 0.569312 O\n0.522166 0.648234 0.069312 O\n0.477834 0.148234 0.430688 O\n0.017987 0.273109 0.810956 O\n0.982013 0.773109 0.689044 O\n0.982013 0.726891 0.189044 O\n0.017987 0.226891 0.310956 O\n0.462481 0.583446 0.090203 O\n0.537519 0.083446 0.409797 O\n0.537519 0.416554 0.909797 O\n0.462481 0.916554 0.590203 O\n",
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"formula_full": "K12 Mo16 C4 S4 N4 O64",
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{
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"structure_string": "Na1 Sr9 Fe5 Mo5 O30\n1.0\n20.185401 3.983282 0.000000\n-20.185401 3.983282 0.000000\n0.000000 3.980912 3.981501\nNa Sr Fe Mo O\n1 9 5 5 30\ndirect\n0.449233 0.550767 0.000000 Na\n0.948485 0.051515 0.000000 Sr\n0.351318 0.648682 0.000000 Sr\n0.750375 0.249625 0.000000 Sr\n0.850546 0.149454 0.000000 Sr\n0.150088 0.849912 0.000000 Sr\n0.250425 0.749575 0.000000 Sr\n0.549546 0.450454 0.000000 Sr\n0.650020 0.349980 0.000000 Sr\n0.049637 0.950363 0.000000 Sr\n0.402433 0.597567 0.500000 Fe\n0.499095 0.500905 0.500000 Fe\n0.799734 0.200266 0.500000 Fe\n0.200662 0.799338 0.500000 Fe\n0.598360 0.401640 0.500000 Fe\n0.899029 0.100971 0.500000 Mo\n0.300788 0.699212 0.500000 Mo\n0.699528 0.300472 0.500000 Mo\n0.998875 0.001125 0.500000 Mo\n0.100651 0.899349 0.500000 Mo\n0.451106 0.548894 0.500000 O\n0.118778 0.320180 0.996509 O\n0.636148 0.834555 0.550736 O\n0.849956 0.150044 0.500000 O\n0.951499 0.048501 0.500000 O\n0.165445 0.363852 0.449264 O\n0.513207 0.913125 0.015723 O\n0.679820 0.881222 0.003491 O\n0.017536 0.417237 0.560448 O\n0.249946 0.750054 0.500000 O\n0.350586 0.649414 0.500000 O\n0.582763 0.982464 0.439552 O\n0.921869 0.522612 0.995364 O\n0.086875 0.486793 0.984277 O\n0.428481 0.029021 0.558448 O\n0.649370 0.350630 0.500000 O\n0.749979 0.250021 0.500000 O\n0.970979 0.571519 0.441552 O\n0.312008 0.113538 0.018181 O\n0.477388 0.078131 0.004636 O\n0.817830 0.618054 0.561895 O\n0.048940 0.951060 0.500000 O\n0.149949 0.850051 0.500000 O\n0.381946 0.182170 0.438105 O\n0.736310 0.734264 0.980484 O\n0.886462 0.687992 0.981819 O\n0.212515 0.211407 0.558626 O\n0.549120 0.450880 0.500000 O\n0.788593 0.787485 0.441374 O\n0.265736 0.263690 0.019516 O\n",
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{
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"structure_string": "Tb1 Mn6 Sn6\n1.0\n2.729105 -4.726948 0.000000\n2.729105 4.726948 0.000000\n0.000000 0.000000 9.002666\nTb Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.751198 Mn\n0.500000 0.500000 0.248802 Mn\n0.500000 0.000000 0.248802 Mn\n0.000000 0.500000 0.751198 Mn\n0.500000 0.000000 0.751198 Mn\n0.000000 0.500000 0.248802 Mn\n0.000000 0.000000 0.666832 Sn\n0.000000 0.000000 0.333168 Sn\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n0.333333 0.666667 0.500000 Sn\n0.666667 0.333333 0.000000 Sn\n",
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