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{
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{
"id": "mp-1185214",
"created_at": "2022-09-04T14:47:10.390874Z",
"structure_string": "Li6 Ni2\n1.0\n2.718312 -4.708255 0.000000\n2.718312 4.708255 0.000000\n0.000000 0.000000 4.465321\nLi Ni\n6 2\ndirect\n0.174594 0.349188 0.250000 Li\n0.650812 0.825406 0.250000 Li\n0.174594 0.825406 0.250000 Li\n0.825406 0.650812 0.750000 Li\n0.349188 0.174594 0.750000 Li\n0.825406 0.174594 0.750000 Li\n0.333333 0.666667 0.750000 Ni\n0.666667 0.333333 0.250000 Ni\n",
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{
"id": "mp-1204115",
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"structure_string": "Cd8 H72 C32 O68\n1.0\n-7.067156 0.000000 1.169430\n-0.020240 0.000000 -16.329076\n0.000000 -16.219973 0.000000\nCd H C O\n8 72 32 68\ndirect\n0.511816 0.551269 0.243598 Cd\n0.011816 0.051269 0.256402 Cd\n0.488184 0.448731 0.756402 Cd\n0.988184 0.948731 0.743598 Cd\n0.475780 0.751726 0.549498 Cd\n0.975780 0.251726 0.950502 Cd\n0.524220 0.248274 0.450502 Cd\n0.024220 0.748274 0.049498 Cd\n0.875597 0.829574 0.510668 H\n0.375597 0.329574 0.989332 H\n0.124403 0.170426 0.489332 H\n0.624403 0.670426 0.010668 H\n0.867396 0.802862 0.606489 H\n0.367396 0.302862 0.893511 H\n0.132604 0.197138 0.393511 H\n0.632604 0.697138 0.106489 H\n0.088294 0.689868 0.487155 H\n0.588294 0.189868 0.012845 H\n0.911706 0.310132 0.512845 H\n0.411706 0.810132 0.987155 H\n0.075422 0.666975 0.584953 H\n0.575422 0.166975 0.915047 H\n0.924578 0.333025 0.415047 H\n0.424578 0.833025 0.084953 H\n0.529214 0.600704 0.618494 H\n0.029214 0.100704 0.881506 H\n0.470786 0.399296 0.381506 H\n0.970786 0.899296 0.118494 H\n0.437176 0.580829 0.529988 H\n0.937176 0.080829 0.970012 H\n0.562824 0.419171 0.470012 H\n0.062824 0.919171 0.029988 H\n0.428736 0.902655 0.467763 H\n0.928736 0.402655 0.032237 H\n0.571264 0.097345 0.532237 H\n0.071264 0.597345 0.967763 H\n0.273351 0.894626 0.538643 H\n0.773351 0.394626 0.961357 H\n0.726649 0.105374 0.461357 H\n0.226649 0.605374 0.038643 H\n0.784949 0.611485 0.369041 H\n0.284949 0.111485 0.130959 H\n0.215051 0.388515 0.630959 H\n0.715051 0.888515 0.869041 H\n0.588821 0.635832 0.391935 H\n0.088821 0.135832 0.108065 H\n0.411179 0.364168 0.608065 H\n0.911179 0.864168 0.891935 H\n0.207926 0.567779 0.355811 H\n0.707926 0.067779 0.144189 H\n0.792074 0.432221 0.644189 H\n0.292074 0.932221 0.855811 H\n0.137908 0.485161 0.309979 H\n0.637908 0.985161 0.190021 H\n0.862092 0.514839 0.690021 H\n0.362092 0.014839 0.809979 H\n0.426242 0.472094 0.092678 H\n0.926242 0.972094 0.407322 H\n0.573758 0.527906 0.907322 H\n0.073758 0.027906 0.592678 H\n0.232025 0.493148 0.122693 H\n0.732025 0.993148 0.377307 H\n0.767975 0.506852 0.877307 H\n0.267975 0.006852 0.622693 H\n0.906147 0.607839 0.193001 H\n0.406147 0.107839 0.306999 H\n0.093853 0.392161 0.806999 H\n0.593853 0.892161 0.693001 H\n0.879758 0.510259 0.174647 H\n0.379758 0.010259 0.325353 H\n0.120242 0.489741 0.825353 H\n0.620242 0.989741 0.674647 H\n0.743177 0.535253 0.510798 H\n0.243177 0.035253 0.989202 H\n0.256823 0.464747 0.489202 H\n0.756823 0.964747 0.010798 H\n0.851708 0.465572 0.475910 H\n0.351708 0.965572 0.024090 H\n0.148292 0.534428 0.524090 H\n0.648292 0.034428 0.975910 H\n0.503575 0.770588 0.342514 C\n0.003575 0.270588 0.157486 C\n0.496425 0.229412 0.657486 C\n0.996425 0.729412 0.842514 C\n0.501154 0.858722 0.324722 C\n0.001154 0.358722 0.175278 C\n0.498846 0.141278 0.675278 C\n0.998846 0.641278 0.824722 C\n0.515670 0.842364 0.235825 C\n0.015670 0.342364 0.264175 C\n0.484330 0.157636 0.764175 C\n0.984330 0.657636 0.735825 C\n0.517694 0.753881 0.253579 C\n0.017694 0.253881 0.246421 C\n0.482306 0.246119 0.746421 C\n0.982306 0.746119 0.753579 C\n0.484366 0.737973 0.754030 C\n0.984366 0.237973 0.745970 C\n0.515634 0.262027 0.245970 C\n0.015634 0.762027 0.254030 C\n0.491909 0.650078 0.769965 C\n0.991909 0.150078 0.730035 C\n0.508091 0.349922 0.230035 C\n0.008091 0.849922 0.269965 C\n0.495517 0.665375 0.859618 C\n0.995517 0.165375 0.640382 C\n0.504483 0.334625 0.140382 C\n0.004483 0.834625 0.359618 C\n0.488823 0.754324 0.843764 C\n0.988823 0.254324 0.656236 C\n0.511177 0.245676 0.156236 C\n0.011177 0.745676 0.343764 C\n0.499966 0.725903 0.406459 O\n0.999966 0.225903 0.093541 O\n0.500034 0.274097 0.593541 O\n0.000034 0.774097 0.906459 O\n0.492710 0.923110 0.367545 O\n0.992710 0.423110 0.132455 O\n0.507290 0.076890 0.632455 O\n0.007290 0.576890 0.867545 O\n0.525066 0.886097 0.171818 O\n0.025066 0.386097 0.328182 O\n0.474934 0.113903 0.828182 O\n0.974934 0.613903 0.671818 O\n0.530999 0.691706 0.209024 O\n0.030999 0.191706 0.290976 O\n0.469001 0.308294 0.790976 O\n0.969001 0.808294 0.709024 O\n0.480570 0.782931 0.690612 O\n0.980570 0.282931 0.809388 O\n0.519430 0.217069 0.309388 O\n0.019430 0.717069 0.190612 O\n0.499704 0.588150 0.723474 O\n0.999704 0.088150 0.776526 O\n0.500296 0.411850 0.276526 O\n0.000296 0.911850 0.223474 O\n0.507736 0.621757 0.923132 O\n0.007736 0.121757 0.576868 O\n0.492264 0.378243 0.076868 O\n0.992264 0.878243 0.423132 O\n0.493273 0.818004 0.887878 O\n0.993273 0.318004 0.612122 O\n0.506727 0.181996 0.112122 O\n0.006727 0.681996 0.387878 O\n0.798414 0.796499 0.553539 O\n0.298414 0.296499 0.946461 O\n0.201586 0.203501 0.446461 O\n0.701586 0.703501 0.053539 O\n0.162641 0.685431 0.538560 O\n0.662641 0.185431 0.961440 O\n0.837359 0.314569 0.461440 O\n0.337359 0.814569 0.038560 O\n0.544589 0.615608 0.558853 O\n0.044589 0.115608 0.941147 O\n0.455411 0.384392 0.441147 O\n0.955411 0.884392 0.058853 O\n0.399651 0.882777 0.525476 O\n0.899651 0.382777 0.974524 O\n0.600349 0.117223 0.474524 O\n0.100349 0.617223 0.025476 O\n0.648516 0.588223 0.371875 O\n0.148516 0.088223 0.128125 O\n0.351484 0.411777 0.628125 O\n0.851484 0.911777 0.871875 O\n0.210150 0.542342 0.301225 O\n0.710150 0.042342 0.198775 O\n0.789850 0.457658 0.698775 O\n0.289850 0.957658 0.801225 O\n0.365127 0.519172 0.114327 O\n0.865127 0.019172 0.385673 O\n0.634873 0.480828 0.885673 O\n0.134873 0.980828 0.614327 O\n0.813362 0.555950 0.191537 O\n0.313362 0.055950 0.308463 O\n0.186638 0.444050 0.808463 O\n0.686638 0.944050 0.691537 O\n0.766599 0.478253 0.519300 O\n0.266599 0.978253 0.980700 O\n0.233401 0.521747 0.480700 O\n0.733401 0.021747 0.019300 O\n",
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],
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"density": 2.1678711940586797,
"density_atomic": 0.09614507055945201,
"volume": 1872.1708658864177,
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"formula_full": "Cd8 H72 C32 O68",
"formula_reduced": "Cd2H18C8O17",
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},
{
"id": "mp-720332",
"created_at": "2022-09-04T14:47:10.333937Z",
"structure_string": "Na5 Ca1 Al5 Fe1 Si12 O36\n1.0\n4.360039 4.803154 0.000000\n-4.360039 4.803154 0.000000\n0.000000 4.710959 15.178322\nNa Ca Al Fe Si O\n5 1 5 1 12 36\ndirect\n0.301272 0.700009 0.666647 Na\n0.696147 0.301613 0.834626 Na\n0.302758 0.697242 0.000000 Na\n0.698387 0.303853 0.165374 Na\n0.299991 0.698728 0.333353 Na\n0.698490 0.301510 0.500000 Ca\n0.905249 0.090010 0.670633 Al\n0.096019 0.902730 0.834876 Al\n0.903290 0.096710 0.000000 Al\n0.097270 0.903981 0.165124 Al\n0.909990 0.094751 0.329367 Al\n0.104125 0.895875 0.500000 Fe\n0.378562 0.197393 0.676474 Si\n0.804097 0.613980 0.663135 Si\n0.194457 0.382921 0.842616 Si\n0.614613 0.802363 0.826020 Si\n0.382413 0.195476 0.008474 Si\n0.804524 0.617587 0.991526 Si\n0.197637 0.385387 0.173980 Si\n0.617079 0.805543 0.157384 Si\n0.386020 0.195903 0.336865 Si\n0.802607 0.621438 0.323526 Si\n0.193965 0.374033 0.507309 Si\n0.625967 0.806035 0.492691 Si\n0.675910 0.630268 0.581188 O\n0.621996 0.110445 0.650170 O\n0.184293 0.033968 0.709732 O\n0.959567 0.809902 0.638945 O\n0.895586 0.372712 0.687898 O\n0.357864 0.344492 0.749833 O\n0.626220 0.656248 0.751845 O\n0.101197 0.623255 0.820147 O\n0.033475 0.184550 0.875158 O\n0.811501 0.965261 0.794028 O\n0.375850 0.899961 0.849268 O\n0.342354 0.359552 0.916510 O\n0.657112 0.638562 0.917360 O\n0.622928 0.101740 0.985339 O\n0.184559 0.034069 0.040959 O\n0.965931 0.815441 0.959041 O\n0.898260 0.377072 0.014661 O\n0.361438 0.342888 0.082640 O\n0.640448 0.657646 0.083490 O\n0.100039 0.624150 0.150732 O\n0.034739 0.188499 0.205972 O\n0.815450 0.966525 0.124842 O\n0.376745 0.898803 0.179853 O\n0.343752 0.373780 0.248155 O\n0.655508 0.642136 0.250167 O\n0.627288 0.104414 0.312102 O\n0.190098 0.040433 0.361055 O\n0.966032 0.815707 0.290268 O\n0.889555 0.378004 0.349830 O\n0.369732 0.324090 0.418812 O\n0.640333 0.656775 0.417959 O\n0.092224 0.603319 0.476865 O\n0.019871 0.192689 0.547381 O\n0.807311 0.980129 0.452619 O\n0.396681 0.907776 0.523135 O\n0.343225 0.359667 0.582041 O\n",
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{
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"structure_string": "Sn1 Pb4 S5\n1.0\n-2.104240 2.104240 15.043745\n2.104240 -2.104240 15.043745\n2.104240 2.104240 -15.043745\nSn Pb S\n1 4 5\ndirect\n0.000000 0.000000 0.000000 Sn\n0.400470 0.400470 0.000000 Pb\n0.800193 0.800193 0.000000 Pb\n0.199807 0.199807 0.000000 Pb\n0.599530 0.599530 0.000000 Pb\n0.500000 0.500000 0.000000 S\n0.700087 0.700087 0.000000 S\n0.098680 0.098680 0.000000 S\n0.901320 0.901320 0.000000 S\n0.299913 0.299913 0.000000 S\n",
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{
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{
"id": "mp-1104488",
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"structure_string": "Sr2 Cu8 Sn4\n1.0\n-4.104990 4.104990 3.916972\n4.104990 -4.104990 3.916972\n4.104990 4.104990 -3.916972\nSr Cu Sn\n2 8 4\ndirect\n0.750000 0.750000 0.000000 Sr\n0.250000 0.250000 0.000000 Sr\n0.474565 0.974565 0.771131 Cu\n0.203434 0.703434 0.228869 Cu\n0.703434 0.474565 0.500000 Cu\n0.974565 0.203434 0.500000 Cu\n0.525435 0.025435 0.228869 Cu\n0.796566 0.296566 0.771131 Cu\n0.296566 0.525435 0.500000 Cu\n0.025435 0.796566 0.500000 Cu\n0.160624 0.660624 0.821248 Sn\n0.839376 0.339376 0.178752 Sn\n0.339376 0.160624 0.500000 Sn\n0.660624 0.839376 0.500000 Sn\n",
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"volume": 264.01868605316196,
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"formula_full": "Sr2 Cu8 Sn4",
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{
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"structure_string": "Er1 Ge2 Ru2\n1.0\n-2.129513 2.129513 4.916483\n2.129513 -2.129513 4.916483\n2.129513 2.129513 -4.916483\nEr Ge Ru\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.370757 0.370757 0.000000 Ge\n0.629243 0.629243 0.000000 Ge\n0.250000 0.750000 0.500000 Ru\n0.750000 0.250000 0.500000 Ru\n",
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