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{
"id": "mp-760147",
"created_at": "2022-09-04T14:40:44.324724Z",
"structure_string": "Li40 Co8 O32\n1.0\n9.191763 0.000000 0.000000\n0.000000 9.204389 0.000000\n0.000000 0.000000 9.204714\nLi Co O\n40 8 32\ndirect\n0.611497 0.142888 0.110127 Li\n0.888503 0.642888 0.110127 Li\n0.109315 0.839647 0.118487 Li\n0.390685 0.339647 0.118487 Li\n0.851690 0.374568 0.119523 Li\n0.648310 0.874568 0.119523 Li\n0.876295 0.105534 0.148356 Li\n0.623705 0.605534 0.148356 Li\n0.118159 0.394406 0.157483 Li\n0.381841 0.894406 0.157483 Li\n0.881841 0.894406 0.342517 Li\n0.618159 0.394406 0.342517 Li\n0.376295 0.105534 0.351644 Li\n0.123705 0.605534 0.351644 Li\n0.148310 0.874568 0.380477 Li\n0.351690 0.374568 0.380477 Li\n0.890685 0.339647 0.381513 Li\n0.609315 0.839647 0.381513 Li\n0.111497 0.142888 0.389873 Li\n0.388503 0.642888 0.389873 Li\n0.611497 0.357112 0.610127 Li\n0.888503 0.857112 0.610127 Li\n0.109315 0.660353 0.618487 Li\n0.390685 0.160353 0.618487 Li\n0.648310 0.625432 0.619523 Li\n0.851690 0.125432 0.619523 Li\n0.623705 0.894466 0.648356 Li\n0.876295 0.394466 0.648356 Li\n0.118159 0.105594 0.657483 Li\n0.381841 0.605594 0.657483 Li\n0.618159 0.105594 0.842517 Li\n0.881841 0.605594 0.842517 Li\n0.376295 0.394466 0.851644 Li\n0.123705 0.894466 0.851644 Li\n0.148310 0.625432 0.880477 Li\n0.351690 0.125432 0.880477 Li\n0.609315 0.660353 0.881513 Li\n0.890685 0.160353 0.881513 Li\n0.111497 0.357112 0.889873 Li\n0.388503 0.857112 0.889873 Li\n0.147752 0.118213 0.113600 Co\n0.352248 0.618213 0.113600 Co\n0.647752 0.118213 0.386400 Co\n0.852248 0.618213 0.386400 Co\n0.147752 0.381787 0.613600 Co\n0.352248 0.881787 0.613600 Co\n0.647752 0.381787 0.886400 Co\n0.852248 0.881787 0.886400 Co\n0.251480 0.483790 0.006636 O\n0.248520 0.983790 0.006636 O\n0.006881 0.245962 0.035916 O\n0.493119 0.745962 0.035916 O\n0.033773 0.999959 0.244546 O\n0.466227 0.499959 0.244546 O\n0.246776 0.240599 0.245851 O\n0.253224 0.740599 0.245851 O\n0.746776 0.240599 0.254149 O\n0.753224 0.740599 0.254149 O\n0.533773 0.999959 0.255454 O\n0.966227 0.499959 0.255454 O\n0.506881 0.245962 0.464084 O\n0.993119 0.745962 0.464084 O\n0.751480 0.483790 0.493364 O\n0.748520 0.983790 0.493364 O\n0.251480 0.016210 0.506636 O\n0.248520 0.516210 0.506636 O\n0.006881 0.254038 0.535916 O\n0.493119 0.754038 0.535916 O\n0.033773 0.500041 0.744546 O\n0.466227 0.000041 0.744546 O\n0.246776 0.259401 0.745851 O\n0.253224 0.759401 0.745851 O\n0.746776 0.259401 0.754149 O\n0.753224 0.759401 0.754149 O\n0.533773 0.500041 0.755454 O\n0.966227 0.000041 0.755454 O\n0.506881 0.254038 0.964084 O\n0.993119 0.754038 0.964084 O\n0.751480 0.016210 0.993364 O\n0.748520 0.516210 0.993364 O\n",
"nsites": 80,
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"elements": [
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],
"chemical_system": "Co-Li-O",
"density": 2.688994067161481,
"density_atomic": 0.1027273074674915,
"volume": 778.7607985862605,
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"formula_full": "Li40 Co8 O32",
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"spacegroup": 61
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{
"id": "mp-1204687",
"created_at": "2022-09-04T14:40:44.200658Z",
"structure_string": "Cu12 P8 H8 O36\n1.0\n3.124174 8.965380 0.000000\n-3.124174 8.965380 0.000000\n0.000000 3.212435 11.891072\nCu P H O\n12 8 8 36\ndirect\n0.837674 0.663382 0.907246 Cu\n0.336618 0.162326 0.592754 Cu\n0.162326 0.336618 0.092754 Cu\n0.663382 0.837674 0.407246 Cu\n0.724996 0.092106 0.860226 Cu\n0.907894 0.275004 0.639774 Cu\n0.275004 0.907894 0.139774 Cu\n0.092106 0.724996 0.360226 Cu\n0.517884 0.708628 0.815861 Cu\n0.291372 0.482116 0.684139 Cu\n0.482116 0.291372 0.184139 Cu\n0.708628 0.517884 0.315861 Cu\n0.648392 0.860877 0.142351 P\n0.139123 0.351608 0.357649 P\n0.351608 0.139123 0.857649 P\n0.860877 0.648392 0.642351 P\n0.250967 0.606216 0.903338 P\n0.393784 0.749033 0.596662 P\n0.749033 0.393784 0.096662 P\n0.606216 0.250967 0.403338 P\n0.036414 0.015360 0.868186 H\n0.984640 0.963586 0.631814 H\n0.963586 0.984640 0.131814 H\n0.015360 0.036414 0.368186 H\n0.816882 0.274473 0.904520 H\n0.725527 0.183119 0.595480 H\n0.183118 0.725527 0.095480 H\n0.274473 0.816882 0.404520 H\n0.840420 0.653100 0.070954 O\n0.346900 0.159580 0.429046 O\n0.159580 0.346900 0.929046 O\n0.653100 0.840420 0.570954 O\n0.012627 0.764555 0.866486 O\n0.235445 0.987373 0.633514 O\n0.987373 0.235445 0.133514 O\n0.764555 0.012627 0.366486 O\n0.282738 0.748578 0.881708 O\n0.251422 0.717262 0.618292 O\n0.717262 0.251422 0.118292 O\n0.748578 0.282738 0.381708 O\n0.588148 0.999728 0.889407 O\n0.000272 0.411853 0.610593 O\n0.411853 0.000272 0.110593 O\n0.999728 0.588148 0.389407 O\n0.328827 0.993129 0.879301 O\n0.006871 0.671173 0.620699 O\n0.671173 0.006871 0.120699 O\n0.993129 0.328827 0.379301 O\n0.593905 0.572196 0.676677 O\n0.427804 0.406095 0.823323 O\n0.406095 0.427804 0.323323 O\n0.572196 0.593905 0.176677 O\n0.724902 0.485583 0.972947 O\n0.514417 0.275098 0.527053 O\n0.275098 0.514417 0.027053 O\n0.485583 0.724902 0.472947 O\n0.872046 0.167068 0.854927 O\n0.832932 0.127954 0.645073 O\n0.127954 0.832932 0.145073 O\n0.167068 0.872046 0.354927 O\n0.666028 0.765805 0.268463 O\n0.234195 0.333972 0.231537 O\n0.333972 0.234195 0.731537 O\n0.765805 0.666028 0.768463 O\n",
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"formula_full": "Cu12 P8 H8 O36",
"formula_reduced": "Cu3P2H2O9",
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"spacegroup": 15
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{
"id": "mp-1187502",
"created_at": "2022-09-04T14:40:44.201434Z",
"structure_string": "Tl3 Bi1\n1.0\n5.037685 0.000000 0.000000\n0.000000 5.037685 0.000000\n0.000000 0.000000 5.037685\nTl Bi\n3 1\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "mp-541014",
"created_at": "2022-09-04T14:40:44.206200Z",
"structure_string": "Cs3 Sb2 I9\n1.0\n4.343588 -7.523315 0.000000\n4.343588 7.523315 0.000000\n0.000000 0.000000 10.603460\nCs Sb I\n3 2 9\ndirect\n0.000000 0.000000 0.000000 Cs\n0.666667 0.333333 0.674296 Cs\n0.333333 0.666667 0.325704 Cs\n0.666667 0.333333 0.184634 Sb\n0.333333 0.666667 0.815366 Sb\n0.500000 0.500000 0.000000 I\n0.500000 0.000000 0.000000 I\n0.000000 0.500000 0.000000 I\n0.171396 0.828604 0.664433 I\n0.171396 0.342792 0.664433 I\n0.657208 0.828604 0.664433 I\n0.342792 0.171396 0.335567 I\n0.828604 0.657208 0.335567 I\n0.828604 0.171396 0.335567 I\n",
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{
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"structure_string": "Dy12 Ru4\n1.0\n6.307605 0.000000 0.000000\n0.000000 7.302876 0.000000\n0.000000 0.000000 9.205558\nDy Ru\n12 4\ndirect\n0.330031 0.677004 0.064795 Dy\n0.169969 0.177004 0.435205 Dy\n0.669969 0.322996 0.564795 Dy\n0.830031 0.822996 0.935205 Dy\n0.669969 0.322996 0.935205 Dy\n0.830031 0.822996 0.564795 Dy\n0.330031 0.677004 0.435205 Dy\n0.169969 0.177004 0.064795 Dy\n0.864564 0.540327 0.250000 Dy\n0.635436 0.040327 0.250000 Dy\n0.135436 0.459673 0.750000 Dy\n0.364564 0.959673 0.750000 Dy\n0.040011 0.885444 0.250000 Ru\n0.459989 0.385444 0.250000 Ru\n0.959989 0.114556 0.750000 Ru\n0.540011 0.614556 0.750000 Ru\n",
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{
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"structure_string": "Hf1 N1\n1.0\n0.000000 2.454822 2.454822\n2.454822 0.000000 2.454822\n2.454822 2.454822 0.000000\nHf N\n1 1\ndirect\n0.000000 0.000000 0.000000 Hf\n0.250000 0.250000 0.250000 N\n",
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{
"id": "mp-1021360",
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"structure_string": "K2 Mg12 Si2\n1.0\n4.637424 0.000000 0.000000\n0.000000 6.298524 0.000000\n0.000000 0.000000 14.183072\nK Mg Si\n2 12 2\ndirect\n0.000000 0.500000 0.287712 K\n0.000000 0.000000 0.787712 K\n0.000000 0.246986 0.077256 Mg\n0.000000 0.753014 0.077256 Mg\n0.000000 0.000000 0.360403 Mg\n0.500000 0.747720 0.446060 Mg\n0.500000 0.252280 0.446060 Mg\n0.500000 0.000000 0.192744 Mg\n0.000000 0.746986 0.577256 Mg\n0.000000 0.253014 0.577256 Mg\n0.000000 0.500000 0.860403 Mg\n0.500000 0.247720 0.946060 Mg\n0.500000 0.752280 0.946060 Mg\n0.500000 0.500000 0.692744 Mg\n0.500000 0.500000 0.112509 Si\n0.500000 0.000000 0.612509 Si\n",
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{
"id": "mp-29555",
"created_at": "2022-09-04T14:40:44.218075Z",
"structure_string": "Mo12 Br24\n1.0\n6.047258 -8.004875 0.000000\n6.047258 8.004875 0.000000\n0.000000 0.000000 12.100075\nMo Br\n12 24\ndirect\n0.069301 0.069301 0.861503 Mo\n0.430699 0.430699 0.361503 Mo\n0.569301 0.569301 0.638497 Mo\n0.930699 0.930699 0.138497 Mo\n0.861440 0.861440 0.930826 Mo\n0.638560 0.638560 0.430826 Mo\n0.361440 0.361440 0.569174 Mo\n0.138560 0.138560 0.069174 Mo\n0.382473 0.617527 0.500000 Mo\n0.117527 0.882473 0.000000 Mo\n0.617527 0.382473 0.500000 Mo\n0.882473 0.117527 0.000000 Mo\n0.655234 0.655234 0.844837 Br\n0.844766 0.844766 0.344837 Br\n0.155234 0.155234 0.655163 Br\n0.344766 0.344766 0.155163 Br\n0.221520 0.778480 0.500000 Br\n0.278480 0.721520 0.000000 Br\n0.778480 0.221520 0.500000 Br\n0.721520 0.278480 0.000000 Br\n0.321847 0.090609 0.930770 Br\n0.178153 0.409391 0.430770 Br\n0.590609 0.821847 0.569230 Br\n0.909391 0.678153 0.069230 Br\n0.953738 0.184735 0.206138 Br\n0.546262 0.315266 0.706138 Br\n0.684735 0.453738 0.293862 Br\n0.815266 0.046262 0.793862 Br\n0.046262 0.815266 0.793862 Br\n0.453738 0.684734 0.293862 Br\n0.315266 0.546262 0.706138 Br\n0.184734 0.953738 0.206138 Br\n0.090609 0.321847 0.930770 Br\n0.409391 0.178153 0.430770 Br\n0.821847 0.590609 0.569230 Br\n0.678153 0.909391 0.069230 Br\n",
"nsites": 36,
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"elements": [
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{
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