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{
"id": "mp-24217",
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"structure_string": "Sc4 P6 H6 O18\n1.0\n4.217701 -7.305272 0.000000\n4.217701 7.305272 0.000000\n0.000000 0.000000 7.805010\nSc P H O\n4 6 6 18\ndirect\n0.333333 0.666667 0.454488 Sc\n0.666667 0.333333 0.954488 Sc\n0.666667 0.333333 0.545512 Sc\n0.333333 0.666667 0.045512 Sc\n0.644882 0.956869 0.750000 P\n0.688013 0.644882 0.250000 P\n0.956869 0.311987 0.250000 P\n0.043131 0.688013 0.750000 P\n0.311987 0.355118 0.750000 P\n0.355118 0.043131 0.250000 P\n0.830507 0.004834 0.750000 H\n0.995166 0.825673 0.750000 H\n0.169493 0.995166 0.250000 H\n0.825673 0.830507 0.250000 H\n0.174327 0.169493 0.750000 H\n0.004834 0.174327 0.250000 H\n0.439601 0.152006 0.414235 O\n0.287595 0.439601 0.914235 O\n0.152006 0.712405 0.914235 O\n0.847994 0.287595 0.414235 O\n0.139234 0.498025 0.250000 O\n0.860766 0.501975 0.750000 O\n0.641209 0.139234 0.750000 O\n0.498025 0.358791 0.750000 O\n0.501975 0.641209 0.250000 O\n0.358791 0.860766 0.250000 O\n0.439601 0.152006 0.085765 O\n0.287595 0.439601 0.585765 O\n0.152006 0.712405 0.585765 O\n0.847994 0.287595 0.085765 O\n0.712405 0.560399 0.085765 O\n0.560399 0.847994 0.585765 O\n0.560399 0.847994 0.914235 O\n0.712405 0.560399 0.414235 O\n",
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{
"id": "mp-775134",
"created_at": "2022-09-04T14:39:29.128239Z",
"structure_string": "Mn1 V3 P4 O16\n1.0\n5.918656 0.000000 0.000000\n0.000000 4.920361 0.000000\n0.000000 0.121608 10.099624\nMn V P O\n1 3 4 16\ndirect\n0.000000 0.035312 0.276650 Mn\n0.000000 0.479799 0.771526 V\n0.500000 0.542249 0.220692 V\n0.500000 0.979546 0.732042 V\n0.500000 0.104699 0.400283 P\n0.500000 0.410544 0.904847 P\n0.000000 0.560936 0.092019 P\n0.000000 0.915575 0.601313 P\n0.500000 0.140973 0.549925 O\n0.302817 0.264423 0.328402 O\n0.697183 0.264423 0.328402 O\n0.000000 0.220045 0.627681 O\n0.000000 0.256877 0.105560 O\n0.298177 0.266509 0.830687 O\n0.701823 0.266509 0.830687 O\n0.500000 0.335555 0.053576 O\n0.000000 0.653246 0.947712 O\n0.791134 0.699052 0.167586 O\n0.208866 0.699052 0.167586 O\n0.500000 0.716944 0.882705 O\n0.500000 0.799123 0.368646 O\n0.796752 0.768650 0.677377 O\n0.203248 0.768650 0.677377 O\n0.000000 0.851311 0.456716 O\n",
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],
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{
"id": "mp-1076496",
"created_at": "2022-09-04T14:39:29.127489Z",
"structure_string": "Sr16 Ca16 Mn32 O80\n1.0\n-0.001644 -0.012131 11.042109\n11.166806 0.000284 -0.001684\n-5.581989 15.734863 -5.537130\nSr Ca Mn O\n16 16 32 80\ndirect\n0.308830 0.559834 0.611231 Sr\n0.807545 0.056659 0.608721 Sr\n0.810655 0.558645 0.611191 Sr\n0.195831 0.439001 0.386318 Sr\n0.201014 0.442586 0.894069 Sr\n0.696353 0.439413 0.386208 Sr\n0.697643 0.937564 0.385912 Sr\n0.702146 0.941137 0.893869 Sr\n0.060982 0.299856 0.610579 Sr\n0.060027 0.802286 0.609811 Sr\n0.559114 0.301147 0.610826 Sr\n0.559209 0.801757 0.609687 Sr\n0.445845 0.197095 0.386356 Sr\n0.451413 0.201714 0.892217 Sr\n0.947119 0.196242 0.386322 Sr\n0.950340 0.201899 0.893448 Sr\n0.305222 0.063584 0.104490 Ca\n0.306953 0.058984 0.603990 Ca\n0.305438 0.564030 0.105787 Ca\n0.803787 0.063553 0.104064 Ca\n0.807036 0.563035 0.106189 Ca\n0.201711 0.936146 0.391944 Ca\n0.204385 0.938727 0.899570 Ca\n0.703349 0.439605 0.900074 Ca\n0.053992 0.291132 0.104971 Ca\n0.055945 0.791762 0.104816 Ca\n0.552863 0.290721 0.103476 Ca\n0.555422 0.790925 0.102925 Ca\n0.448114 0.704206 0.392004 Ca\n0.451453 0.709487 0.898324 Ca\n0.950190 0.704742 0.392027 Ca\n0.953958 0.710257 0.899578 Ca\n0.009710 0.000623 0.003731 Mn\n0.004700 0.997972 0.497343 Mn\n0.007175 0.502584 0.003307 Mn\n0.002278 0.499667 0.497615 Mn\n0.507946 0.000805 0.002822 Mn\n0.502192 0.998608 0.497441 Mn\n0.508422 0.502259 0.002997 Mn\n0.501904 0.499004 0.497227 Mn\n0.258140 0.252125 0.003659 Mn\n0.253422 0.247996 0.498557 Mn\n0.258343 0.752302 0.003008 Mn\n0.252600 0.748979 0.496929 Mn\n0.758301 0.253972 0.004665 Mn\n0.752898 0.249126 0.498356 Mn\n0.758447 0.749559 0.001719 Mn\n0.752575 0.746973 0.496283 Mn\n0.104769 0.085391 0.243558 Mn\n0.118442 0.093181 0.755645 Mn\n0.105254 0.598373 0.244872 Mn\n0.114734 0.604173 0.756622 Mn\n0.603262 0.085512 0.241478 Mn\n0.608766 0.099842 0.751852 Mn\n0.603672 0.592177 0.243188 Mn\n0.612891 0.596476 0.759095 Mn\n0.353285 0.408341 0.243420 Mn\n0.368286 0.408191 0.756185 Mn\n0.350709 0.897677 0.244067 Mn\n0.359790 0.904977 0.753872 Mn\n0.854585 0.409114 0.244387 Mn\n0.860180 0.415120 0.759585 Mn\n0.858779 0.896190 0.241659 Mn\n0.867938 0.903178 0.754226 Mn\n0.128404 0.118350 0.493831 O\n0.129963 0.121184 0.994902 O\n0.120884 0.623695 0.489438 O\n0.124955 0.626102 0.993229 O\n0.624920 0.122266 0.494343 O\n0.629190 0.125920 0.997942 O\n0.621959 0.622987 0.491592 O\n0.626787 0.621407 0.990617 O\n0.137518 0.382900 0.017227 O\n0.129205 0.375509 0.502709 O\n0.138381 0.880136 0.013092 O\n0.130959 0.876094 0.499035 O\n0.639401 0.384563 0.016694 O\n0.628421 0.375471 0.500846 O\n0.636454 0.877990 0.013460 O\n0.625267 0.871063 0.497472 O\n0.371431 0.116168 0.491744 O\n0.375211 0.117814 0.993379 O\n0.375775 0.623968 0.492730 O\n0.380115 0.624476 0.993955 O\n0.877562 0.121598 0.496666 O\n0.879672 0.122492 0.997466 O\n0.875251 0.622328 0.491866 O\n0.875554 0.618438 0.989915 O\n0.387665 0.385539 0.015560 O\n0.378510 0.376170 0.501924 O\n0.387776 0.883555 0.014246 O\n0.377877 0.878503 0.502739 O\n0.885341 0.385730 0.014169 O\n0.878407 0.375728 0.501257 O\n0.889909 0.881995 0.015050 O\n0.880503 0.873332 0.498985 O\n0.086867 0.090100 0.133359 O\n0.087071 0.074889 0.640282 O\n0.075175 0.596089 0.131143 O\n0.071766 0.583504 0.638926 O\n0.580055 0.092325 0.131537 O\n0.574598 0.078502 0.635268 O\n0.578228 0.596069 0.131730 O\n0.576364 0.579857 0.643415 O\n0.429678 0.417658 0.356874 O\n0.449008 0.415436 0.873281 O\n0.431982 0.913257 0.358952 O\n0.449042 0.913377 0.870255 O\n0.930821 0.417203 0.357627 O\n0.945637 0.415027 0.872676 O\n0.937492 0.914421 0.357478 O\n0.949546 0.910921 0.871738 O\n0.334259 0.291202 0.133286 O\n0.329631 0.301341 0.639384 O\n0.325311 0.786812 0.131459 O\n0.319459 0.803728 0.638358 O\n0.836271 0.293623 0.134555 O\n0.825860 0.315794 0.644352 O\n0.831481 0.783575 0.129242 O\n0.824205 0.806514 0.636666 O\n0.181091 0.188882 0.357213 O\n0.194502 0.206179 0.870613 O\n0.191253 0.697730 0.359656 O\n0.203190 0.712814 0.872961 O\n0.681661 0.183377 0.356220 O\n0.688522 0.209222 0.870050 O\n0.690078 0.687267 0.357530 O\n0.702830 0.707256 0.872001 O\n0.424608 0.058521 0.238083 O\n0.426757 0.066111 0.745160 O\n0.426262 0.577889 0.246272 O\n0.438695 0.583089 0.762163 O\n0.925999 0.062021 0.236920 O\n0.942768 0.067215 0.752552 O\n0.926615 0.577410 0.247482 O\n0.936909 0.579689 0.763737 O\n0.174002 0.428305 0.237961 O\n0.190407 0.441838 0.753844 O\n0.173689 0.917404 0.245840 O\n0.186966 0.927195 0.762565 O\n0.673012 0.424072 0.236710 O\n0.682906 0.430130 0.762750 O\n0.679346 0.921556 0.237206 O\n0.692619 0.941934 0.754224 O\n",
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"elements": [
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],
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"density": 4.3504093140404185,
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"volume": 1939.4559483525238,
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"formula_full": "Sr16 Ca16 Mn32 O80",
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{
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"structure_string": "Sr2 Eu2 Tl1 Ni2 O9\n1.0\n0.000000 2.712556 14.997491\n2.685240 0.000000 14.997491\n2.685240 2.712556 0.000000\nSr Eu Tl Ni O\n2 2 1 2 9\ndirect\n0.591800 0.577579 0.422421 Sr\n0.422421 0.408200 0.591800 Sr\n0.704732 0.703521 0.296479 Eu\n0.296479 0.295268 0.704732 Eu\n0.044392 0.955608 0.044392 Tl\n0.149839 0.145860 0.854140 Ni\n0.854140 0.850161 0.149839 Ni\n0.219133 0.218288 0.781712 O\n0.781712 0.780867 0.219133 O\n0.478884 0.521116 0.478884 O\n0.651103 0.647456 0.852215 O\n0.150775 0.147785 0.352544 O\n0.352544 0.348897 0.150775 O\n0.852215 0.849225 0.651103 O\n0.071548 0.069717 0.930283 O\n0.930283 0.928452 0.071548 O\n",
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{
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{
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{
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"structure_string": "Li2 V1 Fe1 O4\n1.0\n-2.060862 2.060862 4.359174\n2.060862 -2.060862 4.359174\n2.060862 2.060862 -4.359174\nLi V Fe O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 V\n0.750000 0.250000 0.500000 Fe\n0.513465 0.013465 0.500000 O\n0.230497 0.230497 0.000000 O\n0.986535 0.486535 0.500000 O\n0.769503 0.769503 0.000000 O\n",
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{
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{
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{
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}