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{
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"structure_string": "Li4 Ti4 Mn2 Cr4 P12 O48\n1.0\n8.622354 0.000000 0.000000\n4.311209 7.491567 0.000000\n4.251484 2.512136 14.094894\nLi Ti Mn Cr P O\n4 4 2 4 12 48\ndirect\n0.991331 0.987681 0.001587 Li\n0.510482 0.761211 0.750795 Li\n0.256364 0.429214 0.929435 Li\n0.640536 0.522504 0.625547 Li\n0.141035 0.788223 0.071722 Ti\n0.356146 0.958915 0.680177 Ti\n0.647441 0.030197 0.321133 Ti\n0.848925 0.210048 0.927823 Ti\n0.013040 0.503453 0.493596 Mn\n0.494954 0.250130 0.251243 Mn\n0.357837 0.466363 0.179625 Cr\n0.140558 0.283321 0.570401 Cr\n0.859098 0.715748 0.428182 Cr\n0.643856 0.538585 0.822076 Cr\n0.750407 0.725079 0.229739 P\n0.044208 0.165556 0.374795 P\n0.453732 0.231249 0.021584 P\n0.537989 0.268830 0.479722 P\n0.960355 0.336327 0.125103 P\n0.750242 0.234564 0.725845 P\n0.249721 0.769589 0.271134 P\n0.041671 0.665486 0.875458 P\n0.458561 0.725590 0.522420 P\n0.539068 0.768621 0.980896 P\n0.958356 0.834301 0.625563 P\n0.249364 0.269246 0.769262 P\n0.307454 0.629980 0.254948 O\n0.509292 0.637874 0.061000 O\n0.913183 0.807864 0.133712 O\n0.119754 0.342458 0.152478 O\n0.803799 0.681484 0.310653 O\n0.584836 0.542687 0.221232 O\n0.055199 0.278886 0.455732 O\n0.235994 0.266505 0.292678 O\n0.380720 0.308820 0.495601 O\n0.445244 0.297414 0.118083 O\n0.727852 0.441036 0.479852 O\n0.000704 0.528525 0.098175 O\n0.008241 0.979816 0.403994 O\n0.303316 0.124446 0.749501 O\n0.266655 0.053332 0.031955 O\n0.564964 0.204883 0.382149 O\n0.624184 0.201142 0.995937 O\n0.495971 0.128673 0.561321 O\n0.764049 0.233079 0.205395 O\n0.916505 0.310739 0.630755 O\n0.122430 0.846725 0.653387 O\n0.807735 0.199119 0.810008 O\n0.951816 0.237660 0.037824 O\n0.586275 0.048318 0.720545 O\n0.414203 0.956965 0.279363 O\n0.062764 0.773531 0.958309 O\n0.190859 0.809759 0.190108 O\n0.879939 0.151928 0.344225 O\n0.085441 0.691372 0.368252 O\n0.233518 0.766726 0.792566 O\n0.508261 0.866177 0.437649 O\n0.374820 0.805170 0.002984 O\n0.436780 0.798438 0.616496 O\n0.731991 0.946775 0.966335 O\n0.691767 0.869175 0.250965 O\n0.991337 0.018807 0.597134 O\n0.010228 0.475781 0.903202 O\n0.265328 0.557929 0.527049 O\n0.537304 0.689135 0.887436 O\n0.614546 0.682566 0.510563 O\n0.761130 0.725034 0.704537 O\n0.934910 0.713441 0.545993 O\n0.418052 0.453001 0.776821 O\n0.197485 0.316148 0.688494 O\n0.878931 0.654446 0.849697 O\n0.093924 0.203573 0.868445 O\n0.478133 0.363886 0.943105 O\n0.693895 0.377241 0.739991 O\n",
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"elements": [
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"Cr",
"P",
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],
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"volume_molar": 7.409339827209228,
"formula_full": "Li4 Ti4 Mn2 Cr4 P12 O48",
"formula_reduced": "Li2Ti2MnCr2(PO4)6",
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},
{
"id": "mp-1206388",
"created_at": "2022-09-04T14:46:55.582601Z",
"structure_string": "Na1 Ag1 C2\n1.0\n3.782456 0.000000 0.000000\n0.000000 3.782456 0.000000\n0.000000 0.000000 5.347967\nNa Ag C\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Ag\n0.000000 0.000000 0.383327 C\n0.000000 0.000000 0.616673 C\n",
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"formula_full": "Na1 Ag1 C2",
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{
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"structure_string": "Gd8 Hf4 O20\n1.0\n3.791207 0.000000 0.000000\n0.000000 10.871424 0.000000\n0.000000 0.000000 11.706877\nGd Hf O\n8 4 20\ndirect\n0.750000 0.117643 0.278011 Gd\n0.750000 0.130234 0.939258 Gd\n0.250000 0.369766 0.439258 Gd\n0.250000 0.382357 0.778011 Gd\n0.750000 0.617643 0.221989 Gd\n0.750000 0.630234 0.560742 Gd\n0.250000 0.869766 0.060742 Gd\n0.250000 0.882357 0.721989 Gd\n0.750000 0.174566 0.616544 Hf\n0.250000 0.325434 0.116544 Hf\n0.750000 0.674566 0.883456 Hf\n0.250000 0.825434 0.383456 Hf\n0.250000 0.005068 0.895892 O\n0.750000 0.001333 0.657234 O\n0.750000 0.229363 0.450725 O\n0.250000 0.245768 0.613569 O\n0.250000 0.244609 0.271573 O\n0.750000 0.255391 0.771573 O\n0.750000 0.254232 0.113569 O\n0.250000 0.270637 0.950725 O\n0.250000 0.498667 0.157234 O\n0.750000 0.494932 0.395892 O\n0.250000 0.505068 0.604108 O\n0.750000 0.501333 0.842766 O\n0.750000 0.729363 0.049275 O\n0.250000 0.745768 0.886431 O\n0.250000 0.744609 0.228427 O\n0.750000 0.755391 0.728427 O\n0.750000 0.754232 0.386431 O\n0.250000 0.770637 0.549275 O\n0.250000 0.998667 0.342766 O\n0.750000 0.994932 0.104108 O\n",
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},
{
"id": "mp-1020725",
"created_at": "2022-09-04T14:46:55.599367Z",
"structure_string": "Sr8 Li4 B24 O46\n1.0\n8.625234 0.000000 0.000000\n0.000000 6.532484 0.000000\n0.000000 3.254842 15.157422\nSr Li B O\n8 4 24 46\ndirect\n0.823986 0.969720 0.227356 Sr\n0.323986 0.030280 0.272644 Sr\n0.176014 0.030280 0.772644 Sr\n0.676014 0.969720 0.727356 Sr\n0.984286 0.390652 0.386117 Sr\n0.484286 0.609348 0.113883 Sr\n0.015714 0.609348 0.613883 Sr\n0.515714 0.390652 0.886117 Sr\n0.804480 0.341657 0.024589 Li\n0.304480 0.658343 0.475411 Li\n0.195520 0.658343 0.975411 Li\n0.695520 0.341657 0.524589 Li\n0.654485 0.064145 0.422007 B\n0.154485 0.935855 0.077993 B\n0.345515 0.935855 0.577993 B\n0.845515 0.064145 0.922007 B\n0.830559 0.752150 0.037805 B\n0.330559 0.247850 0.462195 B\n0.169441 0.247850 0.962195 B\n0.669441 0.752150 0.537805 B\n0.880270 0.477098 0.183086 B\n0.380270 0.522902 0.316914 B\n0.119730 0.522902 0.816914 B\n0.619730 0.477098 0.683086 B\n0.602164 0.714746 0.381870 B\n0.102164 0.285254 0.118130 B\n0.397836 0.285254 0.618130 B\n0.897836 0.714746 0.881870 B\n0.662863 0.425496 0.307142 B\n0.162863 0.574504 0.192858 B\n0.337137 0.574504 0.692858 B\n0.837137 0.425496 0.807142 B\n0.039000 0.903132 0.427235 B\n0.539000 0.096868 0.072765 B\n0.961000 0.096868 0.572765 B\n0.461000 0.903132 0.927235 B\n0.938174 0.328681 0.130962 O\n0.438174 0.671319 0.369038 O\n0.061826 0.671319 0.869038 O\n0.561826 0.328681 0.630962 O\n0.529008 0.976951 0.155964 O\n0.029008 0.023049 0.344036 O\n0.470992 0.023049 0.844036 O\n0.970992 0.976951 0.655964 O\n0.677969 0.274398 0.400679 O\n0.177969 0.725602 0.099321 O\n0.322031 0.725602 0.599321 O\n0.822031 0.274398 0.900679 O\n0.835293 0.971198 0.012625 O\n0.335293 0.028802 0.487375 O\n0.164707 0.028802 0.987375 O\n0.664707 0.971198 0.512625 O\n0.707092 0.629663 0.325157 O\n0.207092 0.370337 0.174843 O\n0.292908 0.370337 0.674843 O\n0.792908 0.629663 0.825157 O\n0.083442 0.697424 0.448911 O\n0.583442 0.302576 0.051089 O\n0.916558 0.302576 0.551089 O\n0.416558 0.697424 0.948911 O\n0.853365 0.634915 0.976280 O\n0.353365 0.365085 0.523720 O\n0.146635 0.365085 0.023720 O\n0.646635 0.634915 0.476280 O\n0.773965 0.357229 0.248790 O\n0.273965 0.642771 0.251210 O\n0.226035 0.642771 0.751210 O\n0.726035 0.357229 0.748790 O\n0.004227 0.577166 0.224539 O\n0.504227 0.422834 0.275461 O\n0.995773 0.422834 0.775461 O\n0.495773 0.577166 0.724539 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.792569 0.663592 0.123656 O\n0.292569 0.336408 0.376344 O\n0.207431 0.336408 0.876344 O\n0.707431 0.663592 0.623656 O\n0.622908 0.948963 0.359986 O\n0.122908 0.051037 0.140014 O\n0.377092 0.051037 0.640014 O\n0.877092 0.948963 0.859986 O\n",
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"formula_full": "Sr8 Li4 B24 O46",
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{
"id": "mp-774868",
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"structure_string": "Zn4 P16 O44\n1.0\n9.251562 0.000000 0.000000\n-0.117470 9.309740 0.000000\n-3.371860 -3.561032 9.550259\nZn P O\n4 16 44\ndirect\n0.745557 0.719025 0.978906 Zn\n0.227726 0.771334 0.502441 Zn\n0.772274 0.228666 0.497559 Zn\n0.254443 0.280975 0.021094 Zn\n0.904618 0.596887 0.241171 P\n0.761440 0.924087 0.611887 P\n0.432867 0.748391 0.073069 P\n0.904732 0.271662 0.089685 P\n0.737428 0.584635 0.443293 P\n0.556895 0.911585 0.773378 P\n0.412779 0.609003 0.286285 P\n0.909656 0.049896 0.246473 P\n0.090344 0.950104 0.753527 P\n0.587221 0.390997 0.713715 P\n0.443105 0.088415 0.226622 P\n0.262572 0.415365 0.556707 P\n0.095268 0.728338 0.910315 P\n0.567133 0.251609 0.926931 P\n0.238560 0.075913 0.388113 P\n0.095382 0.403113 0.758829 P\n0.810912 0.899921 0.177636 O\n0.757028 0.984987 0.500559 O\n0.912170 0.975402 0.746416 O\n0.483834 0.926209 0.136613 O\n0.796821 0.589886 0.102843 O\n0.814307 0.640419 0.353886 O\n0.921858 0.415594 0.224891 O\n0.629711 0.972318 0.675307 O\n0.740356 0.740307 0.566120 O\n0.484970 0.689261 0.199466 O\n0.968845 0.741423 0.966254 O\n0.249953 0.729140 0.031265 O\n0.806269 0.467302 0.498475 O\n0.862821 0.133188 0.129410 O\n0.682981 0.860699 0.868524 O\n0.563014 0.532590 0.351455 O\n0.388263 0.735808 0.402508 O\n0.504438 0.323680 0.039717 O\n0.919413 0.161087 0.386347 O\n0.943686 0.306731 0.690485 O\n0.407882 0.813701 0.687183 O\n0.291040 0.480182 0.190947 O\n0.708960 0.519818 0.809053 O\n0.592118 0.186299 0.312817 O\n0.056314 0.693269 0.309515 O\n0.080587 0.838913 0.613653 O\n0.495562 0.676320 0.960283 O\n0.611737 0.264192 0.597492 O\n0.436986 0.467410 0.648545 O\n0.317019 0.139301 0.131476 O\n0.137179 0.866812 0.870590 O\n0.193731 0.532698 0.501525 O\n0.750047 0.270860 0.968735 O\n0.031155 0.258577 0.033746 O\n0.515030 0.310739 0.800534 O\n0.259644 0.259693 0.433880 O\n0.370289 0.027682 0.324693 O\n0.078142 0.584406 0.775109 O\n0.185693 0.359581 0.646114 O\n0.203179 0.410114 0.897157 O\n0.516166 0.073791 0.863387 O\n0.087830 0.024598 0.253584 O\n0.242972 0.015013 0.499441 O\n0.189088 0.100079 0.822364 O\n",
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{
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{
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{
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{
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{
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{
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"structure_string": "K4 Fe2 P4 H6 O16 F4\n1.0\n7.199479 0.000000 0.000000\n0.433919 8.490863 0.000000\n0.383403 1.480565 8.482215\nK Fe P H O F\n4 2 4 6 16 4\ndirect\n0.168692 0.677827 0.585388 K\n0.693017 0.283634 0.912641 K\n0.417138 0.651730 0.074904 K\n0.926028 0.348803 0.539689 K\n0.271292 0.161800 0.278508 Fe\n0.961515 0.750891 0.094344 Fe\n0.555789 0.841867 0.419209 P\n0.983042 0.947322 0.763059 P\n0.816680 0.110611 0.257129 P\n0.405226 0.001665 0.700541 P\n0.232296 0.347003 0.977325 H\n0.552526 0.573066 0.528512 H\n0.101623 0.651595 0.980568 H\n0.417078 0.168783 0.666887 H\n0.752695 0.543804 0.209709 H\n0.022233 0.539931 0.906544 H\n0.114966 0.429810 0.231664 O\n0.619109 0.578812 0.628952 O\n0.965438 0.950451 0.949333 O\n0.143207 0.073586 0.687143 O\n0.220802 0.391905 0.862231 O\n0.356154 0.856018 0.819321 O\n0.227006 0.376570 0.356456 O\n0.006007 0.101550 0.331657 O\n0.793020 0.080618 0.702203 O\n0.687202 0.743933 0.571768 O\n0.735731 0.929676 0.345193 O\n0.764507 0.609253 0.105154 O\n0.421815 0.958734 0.517194 O\n0.628604 0.975714 0.772180 O\n0.475548 0.694219 0.376410 O\n0.024249 0.447537 0.845124 O\n0.427397 0.960178 0.247030 F\n0.061895 0.749118 0.289177 F\n0.685891 0.219585 0.370766 F\n0.416783 0.272399 0.096085 F\n",
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{
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"structure_string": "Ba6 Sr2 Ru4 O18\n1.0\n5.216738 3.042097 0.000000\n-5.216738 3.042097 0.000000\n0.000000 0.563232 15.339623\nBa Sr Ru O\n6 2 4 18\ndirect\n0.347015 0.674477 0.894508 Ba\n0.325523 0.652985 0.605492 Ba\n0.652985 0.325523 0.105492 Ba\n0.674477 0.347015 0.394508 Ba\n0.993071 0.006929 0.750000 Ba\n0.006929 0.993071 0.250000 Ba\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.692415 0.356493 0.840547 Ru\n0.643507 0.307585 0.659453 Ru\n0.356493 0.692415 0.340547 Ru\n0.307585 0.643507 0.159453 Ru\n0.876361 0.686879 0.889494 O\n0.313121 0.123639 0.610506 O\n0.123639 0.313121 0.110506 O\n0.686879 0.876361 0.389494 O\n0.885159 0.228736 0.898377 O\n0.771264 0.114841 0.601623 O\n0.114841 0.771264 0.101623 O\n0.228736 0.885159 0.398377 O\n0.422313 0.229405 0.926718 O\n0.770595 0.577687 0.573282 O\n0.577687 0.770595 0.073282 O\n0.229405 0.422313 0.426718 O\n0.484006 0.515994 0.250000 O\n0.515994 0.484006 0.750000 O\n0.481360 0.958791 0.234703 O\n0.041209 0.518640 0.265297 O\n0.518640 0.041209 0.765297 O\n0.958791 0.481360 0.734703 O\n",
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