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{
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"structure_string": "Ti4 Cu8 O12\n1.0\n3.687230 7.969779 0.000000\n-3.687230 7.969779 0.000000\n0.000000 1.106895 4.843800\nTi Cu O\n4 8 12\ndirect\n0.447981 0.715445 0.978143 Ti\n0.715445 0.447981 0.478143 Ti\n0.284555 0.552019 0.521857 Ti\n0.552019 0.284555 0.021857 Ti\n0.880571 0.635650 0.738995 Cu\n0.635650 0.880571 0.238995 Cu\n0.002215 0.183733 0.904003 Cu\n0.183733 0.002215 0.404003 Cu\n0.816267 0.997785 0.595997 Cu\n0.997785 0.816267 0.095997 Cu\n0.364350 0.119429 0.761005 Cu\n0.119429 0.364350 0.261005 Cu\n0.296714 0.959997 0.756119 O\n0.573242 0.718067 0.244229 O\n0.959997 0.296714 0.256119 O\n0.718067 0.573242 0.744229 O\n0.211484 0.788516 0.250000 O\n0.566222 0.433778 0.250000 O\n0.788516 0.211484 0.750000 O\n0.433778 0.566222 0.750000 O\n0.281933 0.426758 0.255771 O\n0.040003 0.703286 0.743881 O\n0.426758 0.281933 0.755771 O\n0.703286 0.040003 0.243881 O\n",
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{
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"structure_string": "Zr1 Ag2\n1.0\n-1.791193 1.791193 4.529458\n1.791193 -1.791193 4.529458\n1.791193 1.791193 -4.529458\nZr Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.671334 0.671334 0.000000 Ag\n0.328666 0.328666 0.000000 Ag\n",
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},
{
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"structure_string": "Ba4 Na4 P12 O36\n1.0\n5.900720 0.000000 0.000000\n0.000000 11.277446 0.000000\n0.000000 0.000000 12.489010\nBa Na P O\n4 4 12 36\ndirect\n0.401993 0.893673 0.581275 Ba\n0.901993 0.606327 0.418725 Ba\n0.598007 0.393673 0.918725 Ba\n0.098007 0.106327 0.081275 Ba\n0.398041 0.522828 0.636232 Na\n0.898041 0.977172 0.363768 Na\n0.601959 0.022828 0.863768 Na\n0.101959 0.477172 0.136232 Na\n0.105374 0.849588 0.854670 P\n0.605374 0.650412 0.145330 P\n0.894626 0.349588 0.645330 P\n0.394626 0.150412 0.354670 P\n0.912349 0.702792 0.685328 P\n0.412349 0.797208 0.314672 P\n0.087651 0.202792 0.814672 P\n0.587651 0.297208 0.185328 P\n0.111662 0.589585 0.870723 P\n0.611662 0.910415 0.129277 P\n0.888338 0.089585 0.629277 P\n0.388338 0.410415 0.370723 P\n0.994146 0.938151 0.926467 O\n0.494146 0.561849 0.073533 O\n0.005854 0.438151 0.573533 O\n0.505854 0.061849 0.426467 O\n0.329693 0.875821 0.803386 O\n0.829693 0.624179 0.196614 O\n0.670307 0.375821 0.696614 O\n0.170307 0.124179 0.303386 O\n0.688525 0.696606 0.628256 O\n0.188525 0.803394 0.371744 O\n0.311475 0.196606 0.871744 O\n0.811475 0.303394 0.128256 O\n0.120891 0.697693 0.614907 O\n0.620891 0.802307 0.385093 O\n0.879109 0.197693 0.885093 O\n0.379109 0.302307 0.114907 O\n0.335141 0.558018 0.821181 O\n0.835141 0.941982 0.178819 O\n0.664859 0.058018 0.678819 O\n0.164859 0.441982 0.321181 O\n0.387855 0.276927 0.417794 O\n0.887855 0.223073 0.582206 O\n0.612145 0.776927 0.082206 O\n0.112145 0.723073 0.917794 O\n0.580729 0.179177 0.258985 O\n0.080729 0.320823 0.741015 O\n0.419271 0.679177 0.241015 O\n0.919271 0.820823 0.758985 O\n0.580187 0.399727 0.276007 O\n0.080187 0.100273 0.723993 O\n0.419813 0.899727 0.223993 O\n0.919813 0.600273 0.776007 O\n0.487985 0.492611 0.452796 O\n0.987985 0.007389 0.547204 O\n0.512015 0.992611 0.047204 O\n0.012015 0.507389 0.952796 O\n",
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"formula_full": "Ba4 Na4 P12 O36",
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},
{
"id": "mp-759030",
"created_at": "2022-09-04T14:41:20.950497Z",
"structure_string": "K4 Sm4 H16 N16 O56\n1.0\n8.043953 0.000000 0.000000\n0.000000 11.748670 0.000000\n0.000000 0.000000 13.012815\nK Sm H N O\n4 4 16 16 56\ndirect\n0.412044 0.833195 0.022450 K\n0.912044 0.333195 0.477550 K\n0.412044 0.666805 0.522450 K\n0.912044 0.166805 0.977550 K\n0.875009 0.667380 0.205815 Sm\n0.375009 0.167380 0.294185 Sm\n0.875009 0.832620 0.705815 Sm\n0.375009 0.332620 0.794185 Sm\n0.349461 0.432521 0.016894 H\n0.336304 0.299805 0.032693 H\n0.791458 0.418023 0.186617 H\n0.609378 0.464043 0.193155 H\n0.109378 0.964043 0.306845 H\n0.291458 0.918023 0.313383 H\n0.836304 0.799805 0.467307 H\n0.849461 0.932521 0.483106 H\n0.349461 0.067479 0.516894 H\n0.336304 0.200195 0.532693 H\n0.791458 0.081977 0.686617 H\n0.609378 0.035957 0.693155 H\n0.109378 0.535957 0.806845 H\n0.291458 0.581977 0.813383 H\n0.836304 0.700195 0.967307 H\n0.849461 0.567479 0.983106 H\n0.532768 0.088072 0.099193 N\n0.196244 0.608954 0.111911 N\n0.884376 0.921158 0.175914 N\n0.053833 0.245202 0.204965 N\n0.553833 0.745202 0.295035 N\n0.384376 0.421158 0.324086 N\n0.696244 0.108954 0.388089 N\n0.032768 0.588072 0.400807 N\n0.532768 0.411928 0.599193 N\n0.196244 0.891046 0.611911 N\n0.884376 0.578842 0.675914 N\n0.053833 0.254798 0.704965 N\n0.553833 0.754798 0.795035 N\n0.384376 0.078842 0.824086 N\n0.696244 0.391046 0.888089 N\n0.032768 0.911928 0.900807 N\n0.843374 0.640902 0.019618 O\n0.604283 0.052243 0.021353 O\n0.326498 0.586814 0.064001 O\n0.836251 0.855432 0.104308 O\n0.154758 0.712545 0.130836 O\n0.551160 0.190300 0.132032 O\n0.097728 0.531252 0.143629 O\n0.169209 0.204437 0.147159 O\n0.435391 0.023938 0.152091 O\n0.924859 0.285653 0.167693 O\n0.890459 0.026025 0.167256 O\n0.724834 0.488122 0.180736 O\n0.579052 0.740400 0.198115 O\n0.428937 0.372095 0.238846 O\n0.928937 0.872095 0.261154 O\n0.079052 0.240400 0.301885 O\n0.224834 0.988122 0.319264 O\n0.390459 0.526025 0.332744 O\n0.424859 0.785653 0.332307 O\n0.935391 0.523938 0.347909 O\n0.669209 0.704437 0.352841 O\n0.597728 0.031252 0.356371 O\n0.051160 0.690300 0.367968 O\n0.654758 0.212545 0.369164 O\n0.336251 0.355432 0.395692 O\n0.826498 0.086814 0.435999 O\n0.104283 0.552243 0.478647 O\n0.343374 0.140902 0.480382 O\n0.843374 0.859098 0.519618 O\n0.604283 0.447757 0.521353 O\n0.326498 0.913186 0.564001 O\n0.836251 0.644568 0.604308 O\n0.154758 0.787455 0.630836 O\n0.551160 0.309700 0.632032 O\n0.097728 0.968748 0.643629 O\n0.169209 0.295563 0.647159 O\n0.435391 0.476062 0.652091 O\n0.924859 0.214347 0.667693 O\n0.890459 0.473975 0.667256 O\n0.724834 0.011878 0.680736 O\n0.579052 0.759600 0.698115 O\n0.428937 0.127905 0.738846 O\n0.928937 0.627905 0.761154 O\n0.079052 0.259600 0.801885 O\n0.224834 0.511878 0.819264 O\n0.390459 0.973975 0.832744 O\n0.424859 0.714347 0.832307 O\n0.935391 0.976062 0.847909 O\n0.669209 0.795563 0.852841 O\n0.597728 0.468748 0.856371 O\n0.051160 0.809700 0.867968 O\n0.654758 0.287455 0.869164 O\n0.336251 0.144568 0.895692 O\n0.826498 0.413186 0.935999 O\n0.104283 0.947757 0.978647 O\n0.343374 0.359098 0.980382 O\n",
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{
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{
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"formula_full": "Zr8 H256 C80 I8 N40",
"formula_reduced": "ZrH32C10IN5",
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"updated_at": "2021-11-28T01:35:13.934000Z",
"spacegroup": 61
},
{
"id": "mp-777372",
"created_at": "2022-09-04T14:41:21.345057Z",
"structure_string": "Li6 Mn1 V3 P6 O24\n1.0\n8.667730 0.000000 0.000000\n-4.219430 7.584253 0.000000\n-4.206267 -2.400569 7.247676\nLi Mn V P O\n6 1 3 6 24\ndirect\n0.371107 0.110056 0.709829 Li\n0.617326 0.654505 0.679232 Li\n0.369362 0.264780 0.212856 Li\n0.014899 0.635077 0.747246 Li\n0.015521 0.374270 0.248343 Li\n0.616844 0.961995 0.177585 Li\n0.789774 0.146739 0.856546 Mn\n0.789774 0.642841 0.358126 V\n0.204534 0.358171 0.640451 V\n0.204383 0.847150 0.138958 V\n0.721596 0.470007 0.954117 P\n0.718035 0.247632 0.455140 P\n0.003333 0.048162 0.255358 P\n0.274568 0.749656 0.537916 P\n0.000896 0.955659 0.753970 P\n0.278174 0.527627 0.041946 P\n0.680639 0.271872 0.917456 O\n0.904078 0.618009 0.938794 O\n0.764015 0.247366 0.647385 O\n0.907671 0.287265 0.444479 O\n0.517687 0.448479 0.793554 O\n0.832593 0.074917 0.102449 O\n0.521737 0.066266 0.295371 O\n0.869460 0.989418 0.806072 O\n0.125356 0.110440 0.694852 O\n0.673518 0.401525 0.416450 O\n0.831461 0.761310 0.601040 O\n0.216416 0.478912 0.842172 O\n0.766367 0.517573 0.145168 O\n0.175575 0.232445 0.419035 O\n0.329859 0.602756 0.583459 O\n0.878156 0.886606 0.308504 O\n0.128241 0.016912 0.193006 O\n0.456032 0.942400 0.680104 O\n0.172603 0.939587 0.917656 O\n0.472334 0.525910 0.184255 O\n0.079054 0.698153 0.545453 O\n0.218182 0.741296 0.340539 O\n0.095427 0.386568 0.059395 O\n0.331413 0.728688 0.084649 O\n",
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"formula_full": "Li6 Mn1 V3 P6 O24",
"formula_reduced": "Li6MnV3(PO4)6",
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