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{
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{
"id": "mp-1227729",
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"structure_string": "Ba1 Si1 Au1\n1.0\n2.194340 -3.800708 0.000000\n2.194340 3.800708 0.000000\n0.000000 0.000000 5.017660\nBa Si Au\n1 1 1\ndirect\n0.666667 0.333333 0.000000 Ba\n0.333333 0.666667 0.500000 Si\n0.000000 0.000000 0.500000 Au\n",
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{
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{
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"structure_string": "Li12 V4 P8 H4 O32\n1.0\n2.894037 -0.105621 4.742775\n-2.309670 12.415946 4.690530\n-7.314914 -0.096068 4.453388\nLi V P H O\n12 4 8 4 32\ndirect\n0.875354 0.249721 0.874380 Li\n0.375356 0.249725 0.374335 Li\n0.124687 0.750215 0.125651 Li\n0.624673 0.750226 0.625579 Li\n0.241961 0.379927 0.997964 Li\n0.741820 0.379910 0.497984 Li\n0.492815 0.880258 0.247493 Li\n0.992560 0.880246 0.747105 Li\n0.507297 0.119720 0.752944 Li\n0.007311 0.119722 0.252835 Li\n0.757969 0.620087 0.002008 Li\n0.258091 0.620078 0.502006 Li\n0.500525 0.000045 0.499860 V\n0.749465 0.499973 0.749970 V\n0.000255 0.000038 0.000338 V\n0.249913 0.500082 0.250258 V\n0.440346 0.123801 0.077535 P\n0.940563 0.123769 0.577476 P\n0.690523 0.624000 0.327978 P\n0.190606 0.623964 0.828063 P\n0.309322 0.376024 0.671947 P\n0.809267 0.376048 0.171965 P\n0.559766 0.876250 0.922662 P\n0.059594 0.876160 0.422402 P\n0.126363 0.249898 0.624557 H\n0.626562 0.249936 0.124567 H\n0.373657 0.750168 0.875464 H\n0.873746 0.750092 0.375426 H\n0.486614 0.028228 0.237480 O\n0.986750 0.028238 0.737407 O\n0.738837 0.528167 0.487482 O\n0.238834 0.528169 0.987531 O\n0.261130 0.471826 0.512489 O\n0.761135 0.471834 0.012428 O\n0.513200 0.971750 0.762612 O\n0.013376 0.971749 0.262514 O\n0.422394 0.229887 0.124447 O\n0.922688 0.229901 0.624361 O\n0.671352 0.730195 0.375000 O\n0.171314 0.730213 0.874970 O\n0.328553 0.269794 0.624947 O\n0.828333 0.269813 0.124882 O\n0.577133 0.770135 0.875729 O\n0.077356 0.769992 0.375534 O\n0.193911 0.130497 0.986511 O\n0.694066 0.130507 0.486456 O\n0.443043 0.630661 0.238443 O\n0.943065 0.630650 0.738444 O\n0.556813 0.369325 0.761542 O\n0.056804 0.369319 0.261536 O\n0.806799 0.869555 0.013084 O\n0.306060 0.869461 0.513411 O\n0.093352 0.380052 0.787087 O\n0.593324 0.380080 0.287037 O\n0.344120 0.880399 0.038224 O\n0.843528 0.880446 0.537445 O\n0.656319 0.119483 0.962430 O\n0.156403 0.119638 0.462049 O\n0.906503 0.619990 0.212856 O\n0.406523 0.619964 0.712883 O\n",
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"formula_full": "Li12 V4 P8 H4 O32",
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},
{
"id": "mp-694954",
"created_at": "2022-09-04T14:39:11.007272Z",
"structure_string": "Ca18 La2 Ti18 Mn2 O60\n1.0\n5.434894 0.002900 0.000000\n0.002962 5.517432 0.000000\n0.000000 0.000000 38.542134\nCa La Ti Mn O\n18 2 18 2 60\ndirect\n0.011076 0.959897 0.150052 Ca\n0.011601 0.959299 0.350000 Ca\n0.011076 0.959897 0.549948 Ca\n0.012127 0.961433 0.748750 Ca\n0.012127 0.961433 0.951250 Ca\n0.488134 0.458889 0.350000 Ca\n0.487627 0.458970 0.149997 Ca\n0.487627 0.458970 0.550003 Ca\n0.488965 0.458132 0.748976 Ca\n0.488965 0.458132 0.951024 Ca\n0.513138 0.541025 0.050200 Ca\n0.511715 0.540893 0.250017 Ca\n0.513138 0.541025 0.649800 Ca\n0.511715 0.540893 0.449983 Ca\n0.988308 0.040432 0.250034 Ca\n0.989232 0.039857 0.050327 Ca\n0.988308 0.040432 0.449966 Ca\n0.989232 0.039857 0.649673 Ca\n0.506633 0.530339 0.850000 La\n0.991396 0.028530 0.850000 La\n0.006169 0.497349 0.001373 Ti\n0.997741 0.500537 0.100690 Ti\n0.999851 0.499682 0.200375 Ti\n0.999774 0.499946 0.300111 Ti\n0.999774 0.499946 0.399889 Ti\n0.999851 0.499682 0.499625 Ti\n0.000193 0.499664 0.796890 Ti\n0.000193 0.499664 0.903110 Ti\n0.497504 0.000009 0.099490 Ti\n0.499807 0.999938 0.299914 Ti\n0.499931 0.999476 0.500325 Ti\n0.507668 0.998564 0.999676 Ti\n0.499931 0.999476 0.199675 Ti\n0.499807 0.999938 0.400086 Ti\n0.497504 0.000009 0.600510 Ti\n0.507668 0.998564 0.700324 Ti\n0.006169 0.497349 0.698627 Ti\n0.997741 0.500537 0.599310 Ti\n0.498528 0.000121 0.901635 Mn\n0.498528 0.000121 0.798365 Mn\n0.083096 0.480685 0.050043 O\n0.081958 0.480573 0.249968 O\n0.081958 0.480573 0.450032 O\n0.083096 0.480685 0.649957 O\n0.069738 0.489404 0.850000 O\n0.215743 0.216651 0.191250 O\n0.215482 0.216215 0.108753 O\n0.215491 0.216356 0.308731 O\n0.215491 0.216356 0.391269 O\n0.215482 0.216215 0.591247 O\n0.215743 0.216651 0.508750 O\n0.212638 0.218277 0.708597 O\n0.211548 0.219979 0.791249 O\n0.212638 0.218277 0.991403 O\n0.211548 0.219979 0.908751 O\n0.283837 0.715714 0.108805 O\n0.284045 0.716285 0.191267 O\n0.284024 0.716009 0.308724 O\n0.284024 0.716009 0.391276 O\n0.283837 0.715714 0.591195 O\n0.277018 0.712795 0.908311 O\n0.283043 0.716355 0.708597 O\n0.277018 0.712795 0.791689 O\n0.284045 0.716285 0.508733 O\n0.283043 0.716355 0.991403 O\n0.417211 0.980505 0.050587 O\n0.417211 0.980505 0.649413 O\n0.418395 0.980657 0.250083 O\n0.418395 0.980657 0.449917 O\n0.433179 0.993563 0.850000 O\n0.581627 0.019577 0.350000 O\n0.581605 0.019411 0.150210 O\n0.581605 0.019411 0.549790 O\n0.586534 0.022296 0.747882 O\n0.586534 0.022296 0.952118 O\n0.714594 0.286903 0.009162 O\n0.716529 0.283722 0.091290 O\n0.715923 0.284122 0.291279 O\n0.716380 0.284148 0.208731 O\n0.716529 0.283722 0.608710 O\n0.715923 0.284122 0.408721 O\n0.716380 0.284148 0.491269 O\n0.714594 0.286903 0.690838 O\n0.724687 0.283548 0.808149 O\n0.724687 0.283548 0.891851 O\n0.784192 0.785282 0.009261 O\n0.784600 0.782947 0.091259 O\n0.784529 0.783591 0.208726 O\n0.784390 0.783742 0.291269 O\n0.784390 0.783742 0.408731 O\n0.784529 0.783591 0.491274 O\n0.784600 0.782947 0.608741 O\n0.784192 0.785282 0.690739 O\n0.780115 0.775565 0.891586 O\n0.780115 0.775565 0.808414 O\n0.917848 0.519344 0.149930 O\n0.918039 0.519635 0.350000 O\n0.917848 0.519344 0.550070 O\n0.915018 0.522780 0.749351 O\n0.915018 0.522780 0.950649 O\n",
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"formula_full": "Ca18 La2 Ti18 Mn2 O60",
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{
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"structure_string": "Li6 Mn2 P4 O16\n1.0\n4.819734 0.000011 -0.045004\n0.000019 9.048877 -0.000105\n-0.398835 -0.000078 6.591330\nLi Mn P O\n6 2 4 16\ndirect\n0.000022 0.500040 0.000103 Li\n0.499990 0.000091 0.499881 Li\n0.004794 0.133875 0.668158 Li\n0.495171 0.633820 0.831950 Li\n0.504814 0.366139 0.168253 Li\n0.995150 0.866194 0.331852 Li\n0.499745 0.999952 0.999824 Mn\n0.000226 0.500121 0.499992 Mn\n0.024809 0.177402 0.196775 P\n0.475164 0.677466 0.303201 P\n0.525071 0.322575 0.696902 P\n0.974929 0.822551 0.803112 P\n0.075596 0.345875 0.216108 O\n0.424522 0.845940 0.283873 O\n0.575722 0.154099 0.716153 O\n0.924384 0.654019 0.783806 O\n0.137013 0.091343 0.383396 O\n0.362920 0.591338 0.116669 O\n0.637285 0.408535 0.883613 O\n0.862670 0.908536 0.616439 O\n0.201342 0.350361 0.665453 O\n0.298664 0.850261 0.834496 O\n0.701014 0.149724 0.165464 O\n0.798980 0.649807 0.334476 O\n0.166266 0.123369 0.001922 O\n0.333733 0.623450 0.498102 O\n0.666659 0.376600 0.502053 O\n0.833345 0.876517 0.997972 O\n",
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{
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"structure_string": "H8 C4 O4\n1.0\n4.317081 0.000000 0.000000\n0.000000 6.043258 0.000000\n0.000000 0.520848 6.722306\nH C O\n8 4 4\ndirect\n0.776226 0.909774 0.870885 H\n0.776226 0.090226 0.629115 H\n0.223774 0.090226 0.129115 H\n0.223774 0.909774 0.370885 H\n0.728486 0.431822 0.128272 H\n0.728486 0.568178 0.371728 H\n0.271514 0.568178 0.871728 H\n0.271514 0.431822 0.628272 H\n0.862949 0.500000 0.250000 C\n0.137051 0.500000 0.750000 C\n0.641258 0.000000 0.750000 C\n0.358742 0.000000 0.250000 C\n0.145570 0.500000 0.250000 O\n0.854430 0.500000 0.750000 O\n0.641227 0.000000 0.250000 O\n0.358773 0.000000 0.750000 O\n",
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{
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"structure_string": "Na4 Yb4 Ge4 O16\n1.0\n5.420417 0.000000 0.000000\n0.000000 6.540272 0.000000\n0.000000 0.000000 11.587073\nNa Yb Ge O\n4 4 4 16\ndirect\n0.000000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.000000 Na\n0.495456 0.250000 0.274183 Yb\n0.004544 0.250000 0.774183 Yb\n0.504544 0.750000 0.725817 Yb\n0.995456 0.750000 0.225817 Yb\n0.051646 0.250000 0.100443 Ge\n0.448354 0.250000 0.600443 Ge\n0.948354 0.750000 0.899557 Ge\n0.551646 0.750000 0.399557 Ge\n0.229626 0.750000 0.392388 O\n0.795477 0.959496 0.830678 O\n0.295477 0.459496 0.669322 O\n0.677922 0.750000 0.542131 O\n0.295477 0.040504 0.669322 O\n0.795477 0.540504 0.830678 O\n0.322078 0.250000 0.457869 O\n0.270374 0.750000 0.892388 O\n0.177922 0.250000 0.957869 O\n0.704523 0.540504 0.330678 O\n0.704523 0.959496 0.330678 O\n0.204523 0.040504 0.169322 O\n0.822078 0.750000 0.042131 O\n0.204523 0.459496 0.169322 O\n0.770374 0.250000 0.607612 O\n0.729626 0.250000 0.107612 O\n",
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{
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"structure_string": "Li4 Yb4 Ge8\n1.0\n3.917689 0.000000 0.000000\n0.000000 7.961656 0.000000\n0.000000 0.000000 10.615101\nLi Yb Ge\n4 4 8\ndirect\n0.250000 0.489308 0.391119 Li\n0.750000 0.510692 0.608881 Li\n0.250000 0.989308 0.108881 Li\n0.750000 0.010692 0.891119 Li\n0.250000 0.134630 0.636679 Yb\n0.750000 0.865370 0.363321 Yb\n0.250000 0.634630 0.863321 Yb\n0.750000 0.365370 0.136679 Yb\n0.750000 0.345032 0.819852 Ge\n0.250000 0.654968 0.180148 Ge\n0.750000 0.845032 0.680148 Ge\n0.250000 0.154968 0.319852 Ge\n0.750000 0.266924 0.439528 Ge\n0.250000 0.733076 0.560472 Ge\n0.750000 0.766924 0.060472 Ge\n0.250000 0.233076 0.939528 Ge\n",
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{
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{
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{
"id": "mp-698470",
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"structure_string": "Li4 Al4 H64 C16 N16\n1.0\n-7.168967 7.168967 4.759744\n7.168967 -7.168967 4.759744\n7.168967 7.168967 -4.759744\nLi Al H C N\n4 4 64 16 16\ndirect\n0.757831 0.410311 0.327503 Li\n0.082808 0.430328 0.672497 Li\n0.680328 0.507831 0.847520 Li\n0.660311 0.832808 0.152480 Li\n0.716813 0.566136 0.169029 Al\n0.397107 0.547784 0.830971 Al\n0.797784 0.466813 0.650677 Al\n0.816136 0.147107 0.349323 Al\n0.642625 0.299215 0.057180 H\n0.242035 0.585445 0.942820 H\n0.835445 0.392625 0.843410 H\n0.549215 0.992035 0.156590 H\n0.473715 0.536892 0.087809 H\n0.449083 0.385907 0.912191 H\n0.635907 0.223715 0.436824 H\n0.786892 0.199083 0.563176 H\n0.847722 0.769911 0.071210 H\n0.698701 0.776513 0.928790 H\n0.026513 0.597722 0.577811 H\n0.019911 0.448701 0.422189 H\n0.814374 0.673268 0.408352 H\n0.264916 0.406022 0.591648 H\n0.656022 0.564374 0.641106 H\n0.923268 0.014916 0.358894 H\n0.344340 0.155071 0.967973 H\n0.187098 0.376367 0.032027 H\n0.626367 0.094340 0.689269 H\n0.405071 0.937098 0.310731 H\n0.373479 0.233841 0.133014 H\n0.100827 0.240464 0.866986 H\n0.490464 0.123479 0.639637 H\n0.483841 0.850827 0.360363 H\n0.384175 0.083113 0.083043 H\n0.000070 0.301132 0.916957 H\n0.551132 0.134175 0.801062 H\n0.333113 0.750070 0.198938 H\n0.606487 0.633340 0.374652 H\n0.258688 0.231835 0.625348 H\n0.481835 0.356487 0.473147 H\n0.883340 0.008688 0.526853 H\n0.402625 0.442182 0.261761 H\n0.180421 0.140864 0.738239 H\n0.390864 0.152625 0.460443 H\n0.692182 0.930421 0.539557 H\n0.458853 0.636088 0.293554 H\n0.342534 0.165299 0.706446 H\n0.415299 0.208853 0.322765 H\n0.886088 0.092534 0.677235 H\n0.038116 0.773909 0.001275 H\n0.772635 0.036841 0.998725 H\n0.286841 0.788116 0.764206 H\n0.023909 0.522635 0.235794 H\n0.968976 0.602342 0.045612 H\n0.556730 0.923363 0.954388 H\n0.173363 0.718976 0.866633 H\n0.852342 0.306730 0.133367 H\n0.089913 0.803771 0.169527 H\n0.634244 0.920386 0.830473 H\n0.170386 0.839913 0.786142 H\n0.053771 0.384244 0.213858 H\n0.087059 0.914999 0.389545 H\n0.525454 0.697514 0.610455 H\n0.947514 0.837059 0.672060 H\n0.164999 0.275454 0.327940 H\n0.107033 0.768957 0.359882 H\n0.409075 0.747151 0.640118 H\n0.997151 0.857033 0.838076 H\n0.018957 0.159075 0.161924 H\n0.097258 0.835370 0.510128 H\n0.325242 0.587130 0.489872 H\n0.837130 0.847258 0.761888 H\n0.085370 0.075242 0.238112 H\n0.419546 0.196549 0.071773 C\n0.124777 0.347774 0.928227 C\n0.597774 0.169546 0.722997 C\n0.446549 0.874777 0.277003 C\n0.506390 0.575896 0.279145 C\n0.296751 0.227244 0.720855 C\n0.477244 0.256390 0.430493 C\n0.825896 0.046751 0.569507 C\n0.988305 0.714730 0.070223 C\n0.644507 0.918082 0.929777 C\n0.168082 0.738305 0.773575 C\n0.964730 0.394507 0.226425 C\n0.044534 0.799745 0.403076 C\n0.396669 0.641458 0.596924 C\n0.891458 0.794534 0.744789 C\n0.049745 0.146669 0.255211 C\n0.602273 0.336328 0.115094 N\n0.221234 0.487178 0.884906 N\n0.737178 0.352273 0.765944 N\n0.586328 0.971234 0.234056 N\n0.573696 0.601744 0.175008 N\n0.426736 0.398688 0.824992 N\n0.648688 0.323696 0.471952 N\n0.851744 0.176736 0.528048 N\n0.827505 0.664776 0.058434 N\n0.606343 0.769071 0.941566 N\n0.019071 0.577505 0.662728 N\n0.914776 0.356343 0.337272 N\n0.861480 0.655008 0.345014 N\n0.309994 0.516466 0.654986 N\n0.766466 0.611480 0.706472 N\n0.905008 0.059994 0.293528 N\n",
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{
"id": "mp-1221062",
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"structure_string": "Na1 Nd3 Ti3 Mn1 O12\n1.0\n5.499195 0.000000 0.000000\n0.012090 5.656948 0.000000\n0.032851 0.017159 7.885426\nNa Nd Ti Mn O\n1 3 3 1 12\ndirect\n0.497258 0.481868 0.249795 Na\n0.017041 0.949638 0.241615 Nd\n0.512514 0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n",
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]
}