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{
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},
{
"id": "mp-1196439",
"created_at": "2022-09-04T14:41:12.431735Z",
"structure_string": "Sn8 P4 H128 C44 N12 Cl8 O4\n1.0\n-0.000000 -13.199300 0.000000\n-13.410591 0.000000 0.000000\n0.000000 0.000000 -15.435763\nSn P H C N Cl O\n8 4 128 44 12 8 4\ndirect\n0.750000 0.288406 0.579232 Sn\n0.750000 0.788406 0.920768 Sn\n0.250000 0.711594 0.420768 Sn\n0.250000 0.211594 0.079232 Sn\n0.750000 0.558616 0.548938 Sn\n0.750000 0.058616 0.951062 Sn\n0.250000 0.441384 0.451062 Sn\n0.250000 0.941384 0.048938 Sn\n0.750000 0.076096 0.407198 P\n0.750000 0.576096 0.092802 P\n0.250000 0.923904 0.592802 P\n0.250000 0.423904 0.907198 P\n0.942064 0.280170 0.640700 H\n0.557936 0.780170 0.859300 H\n0.442064 0.719830 0.359300 H\n0.057936 0.219830 0.140700 H\n0.057936 0.719830 0.359300 H\n0.442064 0.219830 0.140700 H\n0.557936 0.280170 0.640700 H\n0.942064 0.780170 0.859300 H\n0.876541 0.168254 0.669481 H\n0.623459 0.668254 0.830519 H\n0.376541 0.831746 0.330519 H\n0.123459 0.331746 0.169481 H\n0.123459 0.831746 0.330519 H\n0.376541 0.331746 0.169481 H\n0.623459 0.168254 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"spacegroup": 62
},
{
"id": "mp-1197658",
"created_at": "2022-09-04T14:41:27.679011Z",
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{
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{
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Pb\n0.408317 0.883175 0.281159 Pb\n0.588480 0.519287 0.862940 Pb\n0.293781 0.953659 0.726848 Pb\n0.287622 0.351566 0.863859 Pb\n0.629891 0.015425 0.863416 Pb\n0.712378 0.648434 0.136141 Pb\n0.986561 0.787798 0.721539 Pb\n0.013439 0.212202 0.278461 Pb\n0.832435 0.370620 0.301247 Pb\n0.920942 0.196384 0.862060 Pb\n0.512652 0.377685 0.572100 Pb\n0.434987 0.286158 0.718124 Pb\n0.692542 0.539445 0.277968 Pb\n0.339986 0.377752 0.279867 Pb\n0.585364 0.417846 0.007637 Pb\n0.706219 0.046341 0.273152 Pb\n0.370109 0.984575 0.136584 Pb\n0.411520 0.480713 0.137060 Pb\n0.913650 0.086902 0.006635 Pb\n0.565013 0.713842 0.281876 Pb\n0.166339 0.725478 0.557667 Pb\n0.081047 0.115392 0.705703 Pb\n0.221585 0.954814 0.441805 Pb\n0.643537 0.456173 0.424530 Pb\n0.167565 0.629380 0.698753 Pb\n0.789143 0.454694 0.703859 Pb\n0.747843 0.149822 0.134652 Pb\n0.052438 0.388750 0.579248 Pb\n0.987007 0.877344 0.578503 Pb\n0.717033 0.953353 0.414685 Pb\n0.414636 0.582154 0.992363 Pb\n0.210857 0.545306 0.296141 Pb\n0.356463 0.543827 0.575470 Pb\n0.252157 0.850178 0.865348 Pb\n0.754887 0.748495 0.997484 Pb\n0.051050 0.323546 0.136935 Pb\n0.591683 0.116825 0.718841 Pb\n0.487348 0.622315 0.427900 Pb\n0.086350 0.913098 0.993365 Pb\n0.888229 0.289811 0.701259 Pb\n0.410730 0.081477 0.997755 Pb\n0.522625 0.213399 0.288328 Pb\n0.199145 0.048085 0.286017 Pb\n0.477375 0.786601 0.711672 Pb\n0.833661 0.274522 0.442333 Pb\n0.948950 0.676454 0.863065 Pb\n0.800855 0.951915 0.713983 Pb\n0.282967 0.046647 0.585315 Pb\n0.589270 0.918523 0.002245 Pb\n0.079058 0.803616 0.137940 Pb\n0.012993 0.122656 0.421497 Pb\n0.584566 0.202631 0.574725 Pb\n0.245113 0.251505 0.002516 Pb\n0.778415 0.045186 0.558195 Pb\n0.747779 0.250927 0.991951 Pb\n0.911465 0.583765 0.004903 Pb\n0.415434 0.797369 0.425275 Pb\n0.299163 0.688152 0.216015 O\n0.239042 0.302249 0.601012 O\n0.362355 0.477242 0.038786 O\n0.968689 0.591312 0.315706 O\n0.920299 0.431105 0.823931 O\n0.392081 0.783659 0.321190 O\n0.623947 0.179360 0.893236 O\n0.277666 0.234057 0.883469 O\n0.313398 0.058379 0.689767 O\n0.590780 0.773418 0.869179 O\n0.976907 0.105230 0.310659 O\n0.267569 0.483845 0.890215 O\n0.879925 0.791826 0.499756 O\n0.315409 0.854512 0.963144 O\n0.423626 0.903403 0.395606 O\n0.641830 0.060340 0.372950 O\n0.926910 0.433323 0.402129 O\n0.385751 0.565638 0.682105 O\n0.197951 0.962740 0.891641 O\n0.969118 0.193333 0.960976 O\n0.552394 0.633748 0.888647 O\n0.031311 0.408688 0.684294 O\n0.637645 0.522758 0.961214 O\n0.358170 0.939660 0.627050 O\n0.706224 0.730767 0.691394 O\n0.030882 0.806667 0.039024 O\n0.604741 0.390310 0.885889 O\n0.043889 0.437428 0.117649 O\n0.397389 0.056270 0.464205 O\n0.308074 0.357991 0.962110 O\n0.802049 0.037260 0.108359 O\n0.040021 0.178368 0.103468 O\n0.981235 0.773484 0.616415 O\n0.576374 0.096597 0.604394 O\n0.741167 0.475507 0.601149 O\n0.108360 0.769466 0.400289 O\n0.018765 0.226516 0.383585 O\n0.376053 0.820640 0.106764 O\n0.594801 0.821984 0.224728 O\n0.930349 0.061805 0.883482 O\n0.073090 0.566677 0.597871 O\n0.433546 0.683129 0.771032 O\n0.334548 0.707129 0.641563 O\n0.639558 0.849139 0.627769 O\n0.956111 0.562572 0.882351 O\n0.690135 0.907798 0.130795 O\n0.139176 0.532628 0.775143 O\n0.654469 0.351757 0.663274 O\n0.602611 0.943730 0.535795 O\n0.409220 0.226582 0.130821 O\n0.667214 0.908794 0.886652 O\n0.345531 0.648243 0.336726 O\n0.614249 0.434362 0.317895 O\n0.079701 0.568895 0.176069 O\n0.747373 0.617758 0.619129 O\n0.924153 0.315032 0.895789 O\n0.023093 0.894770 0.689341 O\n0.917794 0.026735 0.646511 O\n0.405199 0.178016 0.775272 O\n0.311782 0.831545 0.540847 O\n0.228121 0.442020 0.500169 O\n0.360442 0.150861 0.372231 O\n0.309865 0.092202 0.869205 O\n0.891640 0.230534 0.599711 O\n0.063165 0.011857 0.776126 O\n0.750572 0.285116 0.121785 O\n0.252627 0.382242 0.380871 O\n0.700837 0.311848 0.783985 O\n0.120075 0.208174 0.500244 O\n0.370626 0.974871 0.038909 O\n0.760958 0.697751 0.398988 O\n0.038517 0.314235 0.039006 O\n0.771879 0.557980 0.499831 O\n0.332851 0.442373 0.617353 O\n0.395259 0.609690 0.114111 O\n0.959979 0.821632 0.896532 O\n0.684591 0.145488 0.036856 O\n0.075847 0.684968 0.104211 O\n0.332786 0.091206 0.113348 O\n0.722334 0.765943 0.116531 O\n0.211528 0.153643 0.220937 O\n0.686602 0.941621 0.310233 O\n0.936835 0.988143 0.223874 O\n0.961483 0.685765 0.960994 O\n0.788472 0.846357 0.779063 O\n0.205787 0.159376 0.618419 O\n0.607919 0.216341 0.678810 O\n0.732431 0.516155 0.109785 O\n0.688218 0.168455 0.459153 O\n0.069651 0.938195 0.116518 O\n0.082206 0.973265 0.353489 O\n0.293776 0.269233 0.308606 O\n0.665452 0.292871 0.358437 O\n0.794213 0.840624 0.381581 O\n0.667149 0.557627 0.382647 O\n0.566454 0.316871 0.228968 O\n0.629374 0.025129 0.961091 O\n0.860824 0.467372 0.224857 O\n0.447606 0.366252 0.111353 O\n0.258833 0.524493 0.398851 O\n0.249428 0.714884 0.878215 O\n0.691926 0.642009 0.037890 O\n",
"nsites": 186,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"O"
],
"chemical_system": "Ge-O-Pb",
"density": 8.152029640875607,
"density_atomic": 0.05495891747645135,
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"formula_full": "Ge18 Pb66 O102",
"formula_reduced": "Ge3Pb11O17",
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"updated_at": "2021-11-28T01:34:30.455000Z",
"spacegroup": 2
},
{
"id": "mp-667363",
"created_at": "2022-09-04T14:42:42.614742Z",
"structure_string": "Al24 P24 O96\n1.0\n8.635856 0.000000 0.000000\n0.000000 14.020491 0.000000\n0.000000 0.000000 24.369453\nAl P O\n24 24 96\ndirect\n0.998403 0.207335 0.666912 Al\n0.012631 0.393746 0.061523 Al\n0.999146 0.889446 0.773930 Al\n0.003770 0.291213 0.831062 Al\n0.488474 0.895920 0.439249 Al\n0.009708 0.393314 0.274442 Al\n0.503770 0.291213 0.168938 Al\n0.498403 0.792665 0.666912 Al\n0.999146 0.110554 0.226070 Al\n0.512631 0.606254 0.061523 Al\n0.499146 0.110554 0.773930 Al\n0.509708 0.393314 0.725558 Al\n0.509708 0.606686 0.274442 Al\n0.998403 0.792665 0.333088 Al\n0.988474 0.104080 0.439249 Al\n0.498403 0.207335 0.333088 Al\n0.009708 0.606686 0.725558 Al\n0.012631 0.606254 0.938477 Al\n0.003770 0.708787 0.168938 Al\n0.499146 0.889446 0.226070 Al\n0.512631 0.393746 0.938477 Al\n0.503770 0.708787 0.831062 Al\n0.988474 0.895920 0.560751 Al\n0.488474 0.104080 0.560751 Al\n0.125135 0.209102 0.335781 P\n0.133330 0.390171 0.938018 P\n0.121315 0.103742 0.775296 P\n0.133330 0.609829 0.061982 P\n0.615058 0.892787 0.560422 P\n0.625135 0.209102 0.664219 P\n0.621315 0.896258 0.775296 P\n0.131656 0.706069 0.831728 P\n0.636722 0.392000 0.275271 P\n0.633330 0.609829 0.938018 P\n0.121315 0.896258 0.224704 P\n0.615058 0.107213 0.439578 P\n0.131656 0.293931 0.168272 P\n0.125135 0.790898 0.664219 P\n0.115058 0.107213 0.560422 P\n0.631656 0.706069 0.168272 P\n0.625135 0.790898 0.335781 P\n0.631656 0.293931 0.831728 P\n0.633330 0.390171 0.061982 P\n0.115058 0.892787 0.439578 P\n0.136722 0.392000 0.724729 P\n0.636722 0.608000 0.724729 P\n0.136722 0.608000 0.275271 P\n0.621315 0.103742 0.224704 P\n0.577004 0.814609 0.602347 O\n0.546661 0.011462 0.420581 O\n0.604355 0.633993 0.785151 O\n0.104355 0.366007 0.785151 O\n0.596713 0.685019 0.107932 O\n0.561154 0.317878 0.101829 O\n0.078099 0.491038 0.922950 O\n0.047972 0.323676 0.686552 O\n0.805421 0.308480 0.820444 O\n0.601073 0.685682 0.319876 O\n0.051435 0.138170 0.504411 O\n0.077004 0.185391 0.602347 O\n0.101073 0.314318 0.319876 O\n0.790063 0.096267 0.444037 O\n0.070554 0.127300 0.716217 O\n0.050466 0.857131 0.707164 O\n0.101073 0.685682 0.680124 O\n0.046661 0.011462 0.579419 O\n0.039877 0.636579 0.794955 O\n0.798062 0.886308 0.779770 O\n0.577004 0.185391 0.397653 O\n0.547972 0.323676 0.313448 O\n0.539877 0.636579 0.205045 O\n0.551435 0.138170 0.495589 O\n0.570554 0.872700 0.716217 O\n0.044407 0.828847 0.183054 O\n0.550466 0.857131 0.292836 O\n0.544407 0.828847 0.816946 O\n0.050257 0.810403 0.608355 O\n0.604355 0.366007 0.214849 O\n0.047972 0.676324 0.313448 O\n0.305421 0.308480 0.179556 O\n0.298062 0.886308 0.220230 O\n0.298062 0.113692 0.779770 O\n0.790063 0.903733 0.555963 O\n0.077004 0.814609 0.397653 O\n0.046661 0.988538 0.420581 O\n0.546661 0.988538 0.579419 O\n0.585863 0.190097 0.820067 O\n0.081165 0.637184 0.003632 O\n0.310717 0.387025 0.934126 O\n0.550257 0.810403 0.391645 O\n0.810988 0.384859 0.286462 O\n0.078099 0.508962 0.077050 O\n0.810717 0.387025 0.065874 O\n0.085863 0.809903 0.820067 O\n0.539877 0.363421 0.794955 O\n0.050466 0.142869 0.292836 O\n0.550257 0.189597 0.608355 O\n0.096713 0.314981 0.107932 O\n0.072207 0.001819 0.789824 O\n0.290063 0.096267 0.555963 O\n0.083815 0.506017 0.288096 O\n0.547972 0.676324 0.686552 O\n0.083815 0.493983 0.711904 O\n0.310988 0.384859 0.713538 O\n0.805421 0.691520 0.179556 O\n0.061154 0.317878 0.898171 O\n0.039877 0.363421 0.205045 O\n0.299325 0.811513 0.661226 O\n0.050257 0.189597 0.391645 O\n0.810717 0.612975 0.934126 O\n0.578099 0.491038 0.077050 O\n0.310717 0.612975 0.065874 O\n0.070554 0.872700 0.283783 O\n0.072207 0.998181 0.210176 O\n0.578099 0.508962 0.922950 O\n0.601073 0.314318 0.680124 O\n0.798062 0.113692 0.220230 O\n0.051435 0.861830 0.495589 O\n0.561154 0.682122 0.898171 O\n0.550466 0.142869 0.707164 O\n0.085863 0.190097 0.179933 O\n0.596713 0.314981 0.892068 O\n0.581165 0.362816 0.003632 O\n0.299325 0.188487 0.338774 O\n0.310988 0.615141 0.286462 O\n0.572207 0.001819 0.210176 O\n0.570554 0.127300 0.283783 O\n0.061154 0.682122 0.101829 O\n0.583815 0.506017 0.711904 O\n0.799325 0.811513 0.338774 O\n0.572207 0.998181 0.789824 O\n0.081165 0.362816 0.996368 O\n0.810988 0.615141 0.713538 O\n0.585863 0.809903 0.179933 O\n0.290063 0.903733 0.444037 O\n0.104355 0.633993 0.214849 O\n0.096713 0.685019 0.892068 O\n0.551435 0.861830 0.504411 O\n0.583815 0.493983 0.288096 O\n0.305421 0.691520 0.820444 O\n0.044407 0.171153 0.816946 O\n0.544407 0.171153 0.183054 O\n0.581165 0.637184 0.996368 O\n0.799325 0.188487 0.661226 O\n",
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"elements": [
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"P",
"O"
],
"chemical_system": "Al-O-P",
"density": 1.6471686861155168,
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"formula_full": "Al24 P24 O96",
"formula_reduced": "AlPO4",
"formula_anonymous": "ABC4",
"energy": -1142.16751586,
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"updated_at": "2021-11-28T01:35:59.592000Z",
"spacegroup": 27
},
{
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