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{
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{
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"structure_string": "Y16 Cu6 Ge6 Se42\n1.0\n18.553533 0.000000 0.000000\n0.000000 10.282767 0.000000\n0.000000 5.118281 8.928172\nY Cu Ge Se\n16 6 6 42\ndirect\n0.914471 0.775670 0.365218 Y\n0.578903 0.774245 0.359327 Y\n0.251133 0.775623 0.352573 Y\n0.751104 0.638510 0.138954 Y\n0.086026 0.643923 0.133509 Y\n0.750802 0.138449 0.218683 Y\n0.415935 0.134896 0.228716 Y\n0.078471 0.140498 0.218738 Y\n0.915935 0.865104 0.771284 Y\n0.578471 0.859502 0.781262 Y\n0.250802 0.861551 0.781317 Y\n0.586026 0.356077 0.866491 Y\n0.251104 0.361490 0.861046 Y\n0.751133 0.224377 0.647427 Y\n0.414471 0.224330 0.634782 Y\n0.078903 0.225755 0.640673 Y\n0.767505 0.001302 0.999978 Cu\n0.435979 0.993935 0.002577 Cu\n0.105768 0.997635 0.999554 Cu\n0.935979 0.006065 0.997423 Cu\n0.605768 0.002365 0.000446 Cu\n0.267505 0.998698 0.000022 Cu\n0.724878 0.672274 0.662399 Ge\n0.387314 0.662369 0.668770 Ge\n0.054800 0.661012 0.672283 Ge\n0.887314 0.337631 0.331230 Ge\n0.554800 0.338988 0.327717 Ge\n0.224878 0.327726 0.337601 Ge\n0.002265 0.907747 0.515046 Se\n0.664504 0.908761 0.515725 Se\n0.334277 0.905960 0.516523 Se\n0.836973 0.427841 0.089420 Se\n0.499562 0.420360 0.088905 Se\n0.168727 0.421324 0.095008 Se\n0.004853 0.520716 0.564992 Se\n0.667492 0.517696 0.576041 Se\n0.335055 0.515109 0.570795 Se\n0.835055 0.484891 0.429205 Se\n0.504853 0.479284 0.435008 Se\n0.167492 0.482304 0.423959 Se\n0.999562 0.579640 0.911095 Se\n0.668727 0.578676 0.904992 Se\n0.336973 0.572159 0.910580 Se\n0.834277 0.094040 0.483477 Se\n0.502265 0.092253 0.484954 Se\n0.164504 0.091239 0.484275 Se\n0.683620 0.332240 0.333752 Se\n0.351138 0.334957 0.331272 Se\n0.015532 0.335791 0.333147 Se\n0.851138 0.665043 0.668728 Se\n0.515532 0.664209 0.666853 Se\n0.183620 0.667760 0.666248 Se\n0.753176 0.261585 0.902683 Se\n0.430554 0.258264 0.899986 Se\n0.101260 0.260309 0.897596 Se\n0.925505 0.097284 0.163929 Se\n0.594123 0.099885 0.164858 Se\n0.263832 0.102328 0.160266 Se\n0.927963 0.159115 0.737545 Se\n0.596032 0.157463 0.737524 Se\n0.263223 0.160567 0.736366 Se\n0.763223 0.839433 0.263634 Se\n0.427963 0.840885 0.262455 Se\n0.096032 0.842537 0.262476 Se\n0.763832 0.897672 0.839734 Se\n0.425505 0.902716 0.836071 Se\n0.094123 0.900115 0.835142 Se\n0.930554 0.741736 0.100014 Se\n0.601260 0.739691 0.102404 Se\n0.253176 0.738415 0.097317 Se\n",
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{
"id": "mp-1177184",
"created_at": "2022-09-04T14:47:42.038323Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n-9.790875 0.000000 0.000000\n4.881323 8.520759 0.000000\n-0.023371 -0.058424 -14.197681\nLi V P O\n8 6 16 58\ndirect\n0.901055 0.666220 0.444345 Li\n0.311297 0.083829 0.939099 Li\n0.906720 0.226665 0.938599 Li\n0.763272 0.090140 0.441986 Li\n0.686394 0.906990 0.053303 Li\n0.101022 0.333323 0.560931 Li\n0.231171 0.320101 0.059820 Li\n0.041696 0.988619 0.509834 Li\n0.429712 0.995639 0.742978 V\n0.562273 0.997748 0.251014 V\n0.001218 0.571078 0.244388 V\n0.000159 0.437585 0.754246 V\n0.567432 0.568689 0.749187 V\n0.440445 0.433467 0.257323 V\n0.767975 0.684237 0.156659 P\n0.912588 0.685982 0.658753 P\n0.308351 0.225510 0.661300 P\n0.657866 0.326274 0.867682 P\n0.676134 0.338184 0.370748 P\n0.319402 0.089807 0.159180 P\n0.219856 0.913939 0.340147 P\n0.910708 0.230017 0.158532 P\n0.086473 0.775202 0.840746 P\n0.775670 0.091081 0.658348 P\n0.681190 0.911695 0.837392 P\n0.335002 0.662815 0.630043 P\n0.334926 0.660150 0.132009 P\n0.692498 0.775770 0.341217 P\n0.087326 0.318611 0.339078 P\n0.233484 0.320461 0.844394 P\n0.787083 0.780812 0.424239 O\n0.741551 0.656555 0.672254 O\n0.004774 0.774387 0.927643 O\n0.909705 0.654602 0.164072 O\n0.615859 0.525834 0.178356 O\n0.653314 0.468824 0.819476 O\n0.461252 0.384421 0.668415 O\n0.248081 0.247066 0.933901 O\n0.341609 0.258229 0.168105 O\n0.818754 0.490219 0.327073 O\n0.912260 0.531356 0.670340 O\n0.523991 0.334494 0.324905 O\n0.646650 0.323739 0.972277 O\n0.677965 0.353559 0.475077 O\n0.510801 0.176341 0.824269 O\n0.900714 0.380201 0.177993 O\n0.811126 0.326925 0.833067 O\n0.344263 0.088043 0.664499 O\n0.202891 0.993515 0.243533 O\n0.192606 0.989101 0.422837 O\n0.255774 0.018184 0.066272 O\n0.479445 0.097847 0.182036 O\n0.679085 0.189831 0.334646 O\n0.258867 0.917333 0.833815 O\n0.618259 0.090595 0.673319 O\n0.917082 0.260378 0.666668 O\n0.008436 0.798416 0.745408 O\n0.978680 0.770388 0.567921 O\n0.005721 0.233979 0.427990 O\n0.079667 0.739691 0.332119 O\n0.377747 0.916940 0.332106 O\n0.745958 0.082723 0.158413 O\n0.333849 0.812950 0.674208 O\n0.523762 0.907486 0.819422 O\n0.757735 0.999645 0.926654 O\n0.782254 0.018247 0.567313 O\n0.793577 0.000964 0.748371 O\n0.658660 0.914413 0.338401 O\n0.184007 0.658870 0.177714 O\n0.093331 0.620637 0.822016 O\n0.482797 0.811973 0.170079 O\n0.323821 0.651305 0.027618 O\n0.343812 0.670658 0.525590 O\n0.483505 0.668196 0.677272 O\n0.085234 0.472602 0.325293 O\n0.187857 0.512827 0.667625 O\n0.656267 0.744203 0.834632 O\n0.791137 0.795192 0.246723 O\n0.759188 0.762659 0.070410 O\n0.533716 0.618501 0.328512 O\n0.334130 0.512627 0.174867 O\n0.381186 0.478363 0.823044 O\n0.084272 0.336839 0.843648 O\n0.001346 0.246108 0.069658 O\n0.000314 0.209030 0.248344 O\n0.258128 0.348082 0.333749 O\n0.201692 0.206154 0.580435 O\n0.211998 0.204513 0.758187 O\n",
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"volume": 1184.4512809261053,
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"formula_full": "Li8 V6 P16 O58",
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{
"id": "mp-1174098",
"created_at": "2022-09-04T14:47:42.199495Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n-5.600270 -0.344805 -1.344648\n-2.869803 -0.184799 5.826781\n0.890275 7.754152 0.043657\nLi Mn Co O\n10 4 2 16\ndirect\n0.875950 0.750155 0.249666 Li\n0.374050 0.749838 0.250333 Li\n0.067534 0.107705 0.374883 Li\n0.565171 0.105830 0.370828 Li\n0.182466 0.392293 0.125115 Li\n0.684827 0.394172 0.129173 Li\n0.822229 0.629091 0.887952 Li\n0.319183 0.629774 0.887976 Li\n0.930818 0.870225 0.612023 Li\n0.427769 0.870904 0.612048 Li\n0.507263 0.985925 0.005946 Mn\n0.742759 0.514087 0.494064 Mn\n0.008938 0.988305 0.006053 Mn\n0.241062 0.511690 0.493936 Mn\n0.625001 0.250001 0.749995 Co\n0.124998 0.249992 0.749999 Co\n0.278950 0.059577 0.165966 O\n0.775395 0.063699 0.164075 O\n0.971044 0.440420 0.334034 O\n0.474611 0.436302 0.335934 O\n0.020343 0.555959 0.665207 O\n0.521600 0.552154 0.666517 O\n0.728394 0.947843 0.833478 O\n0.229660 0.944042 0.834799 O\n0.658901 0.793406 0.444380 O\n0.160623 0.791186 0.443809 O\n0.089369 0.708813 0.056187 O\n0.591094 0.706620 0.055619 O\n0.919925 0.294010 0.924612 O\n0.406210 0.294046 0.920078 O\n0.330073 0.205985 0.575386 O\n0.843790 0.205951 0.579928 O\n",
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{
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"structure_string": "Cu6 H4 C4 O16\n1.0\n6.030635 0.000000 0.000000\n0.000000 5.070037 0.000000\n0.000000 0.502511 10.488037\nCu H C O\n6 4 4 16\ndirect\n0.499518 0.250909 0.916214 Cu\n0.999518 0.749091 0.583786 Cu\n0.500482 0.749091 0.083786 Cu\n0.000482 0.250909 0.416214 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.299474 0.820709 0.875114 H\n0.799474 0.179291 0.624886 H\n0.700526 0.179291 0.124886 H\n0.200526 0.820709 0.375114 H\n0.806159 0.666615 0.819098 C\n0.306159 0.333385 0.680902 C\n0.693841 0.666615 0.319098 C\n0.193841 0.333385 0.180902 C\n0.302641 0.431367 0.791942 O\n0.802641 0.568633 0.708058 O\n0.191460 0.931234 0.449792 O\n0.691460 0.068766 0.050208 O\n0.808540 0.068766 0.550208 O\n0.308540 0.931234 0.949792 O\n0.586496 0.885730 0.333505 O\n0.086496 0.114270 0.166495 O\n0.413504 0.114270 0.666495 O\n0.913504 0.885730 0.833505 O\n0.794401 0.551194 0.415474 O\n0.294401 0.448806 0.084526 O\n0.205599 0.448806 0.584526 O\n0.705599 0.551194 0.915474 O\n0.697359 0.568633 0.208058 O\n0.197359 0.431367 0.291942 O\n",
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{
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"structure_string": "Cd4 Bi1 B3 O10\n1.0\n-0.002678 0.000000 3.566939\n-7.999156 0.000000 1.445752\n-3.999578 -8.020347 0.722876\nCd Bi B O\n4 1 3 10\ndirect\n0.167454 0.968236 0.230234 Cd\n0.167454 0.198471 0.769766 Cd\n0.849812 0.528185 0.356728 Cd\n0.849812 0.884913 0.643272 Cd\n0.500156 0.439525 0.000000 Bi\n0.417778 0.586733 0.601255 B\n0.417778 0.187988 0.398745 B\n0.787810 0.820875 0.000000 B\n0.415125 0.379436 0.294235 O\n0.415125 0.673671 0.705765 O\n0.215421 0.676128 0.454176 O\n0.215421 0.130303 0.545824 O\n0.613995 0.055931 0.351922 O\n0.613995 0.407853 0.648078 O\n0.734761 0.829424 0.150925 O\n0.734761 0.980349 0.849075 O\n0.897895 0.648383 0.000000 O\n0.078546 0.254803 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:47:42.550928Z",
"structure_string": "Sr8 Ni4 Cl4 O12\n1.0\n3.887479 3.885824 0.000001\n-3.885579 3.883941 -0.000003\n0.000011 -0.000002 14.723084\nSr Ni Cl O\n8 4 4 12\ndirect\n0.250002 0.999999 0.905804 Sr\n0.750000 0.499998 0.905174 Sr\n0.750000 0.000003 0.094787 Sr\n0.250001 0.500002 0.094435 Sr\n0.250001 0.999998 0.659285 Sr\n0.750001 0.499998 0.659575 Sr\n0.750001 0.000002 0.340299 Sr\n0.250001 0.500002 0.340618 Sr\n0.250000 0.499998 0.791673 Ni\n0.749999 0.499992 0.202720 Ni\n0.749986 0.000001 0.797259 Ni\n0.250000 0.000003 0.208391 Ni\n0.750000 0.999998 0.580543 Cl\n0.250000 0.499999 0.576436 Cl\n0.250000 0.000000 0.423640 Cl\n0.750001 0.500001 0.419676 Cl\n0.749998 0.999998 0.929247 O\n0.250000 0.499998 0.925445 O\n0.250001 0.000001 0.074336 O\n0.750000 0.500000 0.070709 O\n0.492357 0.257569 0.772373 O\n0.007645 0.742427 0.772372 O\n0.492366 0.742411 0.772277 O\n0.007635 0.257585 0.772277 O\n0.492314 0.757561 0.227630 O\n0.007687 0.242446 0.227630 O\n0.492370 0.242494 0.227695 O\n0.007631 0.757513 0.227695 O\n",
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