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{
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{
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"structure_string": "Mn8 Ge2 P8 H24 O44\n1.0\n6.648429 0.000000 0.000000\n0.000000 16.648529 0.000000\n-5.336664 0.000000 7.751957\nMn Ge P H O\n8 2 8 24 44\ndirect\n0.592507 0.361727 0.759517 Mn\n0.592507 0.138273 0.259517 Mn\n0.407493 0.638273 0.240483 Mn\n0.407493 0.861727 0.740483 Mn\n0.120434 0.230585 0.522395 Mn\n0.120434 0.269415 0.022395 Mn\n0.879566 0.769415 0.477605 Mn\n0.879566 0.730585 0.977605 Mn\n0.500000 0.500000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.068497 0.390793 0.715392 P\n0.068497 0.109207 0.215392 P\n0.931503 0.609207 0.284608 P\n0.931503 0.890793 0.784608 P\n0.686250 0.312965 0.127708 P\n0.686250 0.187035 0.627708 P\n0.313750 0.687035 0.872292 P\n0.313750 0.812965 0.372292 P\n0.440005 0.167978 0.843064 H\n0.440005 0.332022 0.343064 H\n0.559995 0.832022 0.156936 H\n0.559995 0.667978 0.656936 H\n0.361791 0.097039 0.711469 H\n0.361791 0.402961 0.211469 H\n0.638209 0.902961 0.288531 H\n0.638209 0.597039 0.788531 H\n0.296243 0.489451 0.531839 H\n0.296243 0.010549 0.031839 H\n0.703757 0.510549 0.468161 H\n0.703757 0.989451 0.968161 H\n0.286496 0.415270 0.420771 H\n0.286496 0.084730 0.920771 H\n0.713504 0.584730 0.579229 H\n0.713504 0.915270 0.079229 H\n0.848290 0.478512 0.001868 H\n0.848290 0.021488 0.501868 H\n0.151710 0.521488 0.998132 H\n0.151710 0.978512 0.498132 H\n0.865059 0.377632 0.432399 H\n0.865059 0.122368 0.932399 H\n0.134941 0.622368 0.567601 H\n0.134941 0.877632 0.067601 H\n0.297082 0.139875 0.747635 O\n0.297082 0.360125 0.247635 O\n0.702918 0.860125 0.252365 O\n0.702918 0.639875 0.752365 O\n0.370885 0.437323 0.537933 O\n0.370885 0.062677 0.037933 O\n0.629115 0.562677 0.462067 O\n0.629115 0.937323 0.962067 O\n0.963475 0.363295 0.817273 O\n0.963475 0.136705 0.317273 O\n0.036525 0.636705 0.182727 O\n0.036525 0.863295 0.682727 O\n0.233313 0.326586 0.713621 O\n0.233313 0.173414 0.213621 O\n0.766687 0.673414 0.286379 O\n0.766687 0.826586 0.786379 O\n0.898354 0.318709 0.320839 O\n0.898354 0.181291 0.820839 O\n0.101646 0.681291 0.679161 O\n0.101646 0.818709 0.179161 O\n0.779480 0.300684 0.011239 O\n0.779480 0.199316 0.511239 O\n0.220520 0.699316 0.988761 O\n0.220520 0.800684 0.488761 O\n0.503123 0.255065 0.596502 O\n0.503123 0.244935 0.096502 O\n0.496877 0.744935 0.403498 O\n0.496877 0.755065 0.903498 O\n0.678334 0.479076 0.902693 O\n0.678334 0.020924 0.402693 O\n0.321666 0.520924 0.097307 O\n0.321666 0.979076 0.597307 O\n0.847154 0.408391 0.521061 O\n0.847154 0.091609 0.021061 O\n0.152846 0.591609 0.478939 O\n0.152846 0.908391 0.978939 O\n0.200363 0.473330 0.783864 O\n0.200363 0.026670 0.283864 O\n0.799637 0.526670 0.216136 O\n0.799637 0.973330 0.716136 O\n0.532068 0.392295 0.078181 O\n0.532068 0.107705 0.578181 O\n0.467932 0.607705 0.921819 O\n0.467932 0.892295 0.421819 O\n",
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"formula_full": "Mn8 Ge2 P8 H24 O44",
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{
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"created_at": "2022-09-04T14:48:24.007298Z",
"structure_string": "K1 Ba2 Ni2 F9\n1.0\n7.214777 -2.919855 0.000000\n7.214777 2.919855 0.000000\n6.033098 0.000000 4.917346\nK Ba Ni F\n1 2 2 9\ndirect\n0.211486 0.211486 0.211486 K\n0.998640 0.998640 0.998640 Ba\n0.793129 0.793129 0.793129 Ba\n0.390992 0.390992 0.390992 Ni\n0.605800 0.605800 0.605800 Ni\n0.268862 0.776040 0.268862 F\n0.776040 0.268862 0.268862 F\n0.268862 0.268862 0.776040 F\n0.731542 0.219249 0.731542 F\n0.219249 0.731542 0.731542 F\n0.731542 0.731542 0.219249 F\n0.994802 0.504528 0.504528 F\n0.504528 0.504528 0.994802 F\n0.504528 0.994802 0.504528 F\n",
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{
"id": "mp-1226793",
"created_at": "2022-09-04T14:48:20.442229Z",
"structure_string": "Ce4 Ni8 B12\n1.0\n-3.818224 3.818224 4.789576\n3.818224 -3.818224 4.789576\n3.818224 3.818224 -4.789576\nCe Ni B\n4 8 12\ndirect\n0.741540 0.241540 0.500000 Ce\n0.241540 0.741540 0.500000 Ce\n0.183726 0.183726 0.000000 Ce\n0.802255 0.802255 0.000000 Ce\n0.519219 0.745804 0.226586 Ni\n0.519219 0.292633 0.773414 Ni\n0.292633 0.519219 0.773414 Ni\n0.745804 0.519219 0.226586 Ni\n0.108747 0.108747 0.545472 Ni\n0.563275 0.563275 0.454528 Ni\n0.563275 0.108747 0.000000 Ni\n0.108747 0.563275 0.000000 Ni\n0.898851 0.735228 0.617526 B\n0.117702 0.281325 0.382474 B\n0.117702 0.735228 0.836377 B\n0.898851 0.281325 0.163623 B\n0.281325 0.898851 0.163623 B\n0.735228 0.117702 0.836377 B\n0.735228 0.898851 0.617526 B\n0.281325 0.117702 0.382474 B\n0.864269 0.864269 0.456633 B\n0.407635 0.407635 0.543367 B\n0.407635 0.864269 0.000000 B\n0.864269 0.407635 0.000000 B\n",
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{
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"structure_string": "Mn3 V3 P6 O24\n1.0\n7.468578 -4.333938 0.000000\n7.468578 4.333938 0.000000\n4.953639 0.000000 7.072774\nMn V P O\n3 3 6 24\ndirect\n0.997693 0.997693 0.997693 Mn\n0.855038 0.855038 0.855038 Mn\n0.499096 0.499096 0.499096 Mn\n0.354944 0.354944 0.354944 V\n0.143388 0.143388 0.143388 V\n0.645268 0.645268 0.645268 V\n0.454265 0.751118 0.045362 P\n0.751118 0.045362 0.454265 P\n0.045362 0.454265 0.751118 P\n0.958673 0.539374 0.254165 P\n0.254165 0.958673 0.539374 P\n0.539374 0.254165 0.958673 P\n0.695338 0.878867 0.495216 O\n0.878867 0.495216 0.695338 O\n0.495216 0.695338 0.878867 O\n0.258501 0.914389 0.061127 O\n0.606975 0.805428 0.021026 O\n0.427956 0.585447 0.238872 O\n0.914389 0.061127 0.258501 O\n0.585447 0.238872 0.427956 O\n0.996701 0.378515 0.193257 O\n0.238872 0.427956 0.585447 O\n0.950973 0.729840 0.096143 O\n0.193257 0.996701 0.378515 O\n0.805428 0.021026 0.606975 O\n0.061127 0.258501 0.914389 O\n0.764277 0.553414 0.419477 O\n0.021026 0.606975 0.805428 O\n0.419477 0.764277 0.553414 O\n0.096143 0.950973 0.729840 O\n0.553414 0.419477 0.764277 O\n0.378515 0.193257 0.996701 O\n0.729840 0.096143 0.950973 O\n0.488487 0.327200 0.114189 O\n0.114189 0.488487 0.327200 O\n0.327200 0.114189 0.488487 O\n",
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{
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"structure_string": "Li1 Fe6 O7 F5\n1.0\n5.851595 0.000000 0.000000\n-0.921113 5.968032 0.000000\n-1.056528 -1.258662 5.873168\nLi Fe O F\n1 6 7 5\ndirect\n0.992742 0.982707 0.995543 Li\n0.298201 0.611916 0.135059 Fe\n0.850467 0.651254 0.372159 Fe\n0.602307 0.154578 0.349579 Fe\n0.400560 0.856131 0.654584 Fe\n0.147222 0.345492 0.609927 Fe\n0.674782 0.412704 0.872878 Fe\n0.928385 0.657805 0.069050 O\n0.571570 0.403119 0.176437 O\n0.592647 0.829927 0.410571 O\n0.188430 0.575399 0.416104 O\n0.820661 0.418667 0.594265 O\n0.404267 0.177466 0.590085 O\n0.413287 0.607187 0.833342 O\n0.319114 0.959494 0.114976 F\n0.941712 0.117543 0.316038 F\n0.055037 0.884867 0.671906 F\n0.682932 0.056268 0.888047 F\n0.115680 0.297480 0.929453 F\n",
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"formula_full": "Li1 Fe6 O7 F5",
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{
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"structure_string": "Mn4 Mo4 O16\n1.0\n7.056977 0.003439 1.496359\n0.390618 7.046159 1.496359\n-0.004741 -0.004488 7.282614\nMn Mo O\n4 4 16\ndirect\n0.183286 0.816713 0.500000 Mn\n0.816714 0.183287 0.499999 Mn\n0.794813 0.794812 0.862301 Mn\n0.205187 0.205187 0.137700 Mn\n0.250902 0.749098 0.000000 Mo\n0.749097 0.250902 0.000000 Mo\n0.270307 0.270307 0.594042 Mo\n0.729692 0.729692 0.405959 Mo\n0.213019 0.516289 0.529432 O\n0.483710 0.786981 0.470568 O\n0.786981 0.483711 0.470568 O\n0.516289 0.213020 0.529431 O\n0.111372 0.804318 0.808995 O\n0.195681 0.888628 0.191006 O\n0.888628 0.195682 0.191006 O\n0.804318 0.111372 0.808995 O\n0.857928 0.857928 0.537401 O\n0.142071 0.142072 0.462598 O\n0.201630 0.201631 0.847687 O\n0.798369 0.798369 0.152312 O\n0.782989 0.492366 0.893697 O\n0.217011 0.507634 0.106304 O\n0.507633 0.217011 0.106304 O\n0.492367 0.782989 0.893697 O\n",
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{
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"structure_string": "Mg14 Si1 Ni1 O16\n1.0\n8.501889 0.000000 0.000000\n0.000000 8.595634 0.000000\n0.000000 0.000000 4.260717\nMg Si Ni O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.243668 0.500000 Mg\n0.000000 0.756332 0.500000 Mg\n0.500000 0.248221 0.500000 Mg\n0.500000 0.751779 0.500000 Mg\n0.246415 0.000000 0.500000 Mg\n0.250575 0.500000 0.500000 Mg\n0.753585 0.000000 0.500000 Mg\n0.749425 0.500000 0.500000 Mg\n0.249170 0.244930 0.000000 Mg\n0.249170 0.755070 0.000000 Mg\n0.750830 0.244930 0.000000 Mg\n0.750830 0.755070 0.000000 Mg\n0.000000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ni\n0.257593 0.000000 0.000000 O\n0.242816 0.500000 0.000000 O\n0.742407 0.000000 0.000000 O\n0.757184 0.500000 0.000000 O\n0.248115 0.250722 0.500000 O\n0.248115 0.749278 0.500000 O\n0.751885 0.250722 0.500000 O\n0.751885 0.749278 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.288963 0.000000 O\n0.000000 0.711037 0.000000 O\n0.500000 0.253358 0.000000 O\n0.500000 0.746642 0.000000 O\n",
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{
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