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{
"id": "mp-1022627",
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"structure_string": "Y2 Mg12 Cr2\n1.0\n5.139154 0.000000 0.000000\n0.000000 6.423309 0.000000\n0.000000 0.000000 11.295180\nY Mg Cr\n2 12 2\ndirect\n0.500000 0.500000 0.666804 Y\n0.500000 0.000000 0.166804 Y\n0.500000 0.744883 0.918141 Mg\n0.500000 0.255117 0.918141 Mg\n0.000000 0.238966 0.584169 Mg\n0.000000 0.761034 0.584169 Mg\n0.000000 0.500000 0.835857 Mg\n0.000000 0.000000 0.828202 Mg\n0.500000 0.244883 0.418141 Mg\n0.500000 0.755117 0.418141 Mg\n0.000000 0.738966 0.084169 Mg\n0.000000 0.261034 0.084169 Mg\n0.000000 0.000000 0.335857 Mg\n0.000000 0.500000 0.328202 Mg\n0.500000 0.000000 0.664512 Cr\n0.500000 0.500000 0.164512 Cr\n",
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{
"id": "mp-532212",
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"structure_string": "Al20 Co10 O40\n1.0\n23.724066 -2.890749 0.000000\n23.724066 2.890749 0.000000\n23.371831 0.000000 4.994520\nAl Co O\n20 10 40\ndirect\n0.649011 0.649011 0.649011 Al\n0.121586 0.631968 0.121586 Al\n0.249694 0.249694 0.249694 Al\n0.631968 0.121586 0.121586 Al\n0.121586 0.121586 0.631968 Al\n0.722899 0.229062 0.722899 Al\n0.229062 0.722899 0.722899 Al\n0.324687 0.825444 0.324687 Al\n0.722899 0.722899 0.229062 Al\n0.524787 0.524787 0.524787 Al\n0.825444 0.324687 0.324687 Al\n0.324687 0.324687 0.825444 Al\n0.924863 0.424669 0.924863 Al\n0.424669 0.924863 0.924863 Al\n0.124865 0.124865 0.124865 Al\n0.523226 0.029042 0.523226 Al\n0.924863 0.924863 0.424669 Al\n0.724913 0.724913 0.724913 Al\n0.029042 0.523226 0.523226 Al\n0.523226 0.523226 0.029042 Al\n0.000768 0.000768 0.000768 Co\n0.325601 0.325601 0.325601 Co\n0.600538 0.600538 0.600538 Co\n0.925216 0.925216 0.925216 Co\n0.199988 0.199988 0.199988 Co\n0.850371 0.850371 0.850371 Co\n0.449947 0.449947 0.449947 Co\n0.799777 0.799777 0.799777 Co\n0.049203 0.049203 0.049203 Co\n0.400193 0.400193 0.400193 Co\n0.467710 0.467710 0.983636 O\n0.276036 0.276036 0.276036 O\n0.983636 0.467710 0.467710 O\n0.467710 0.983636 0.467710 O\n0.071998 0.071998 0.575473 O\n0.791118 0.249500 0.791118 O\n0.972690 0.972690 0.972690 O\n0.249500 0.791118 0.791118 O\n0.878938 0.878938 0.878938 O\n0.575473 0.071998 0.071998 O\n0.071998 0.575473 0.071998 O\n0.791118 0.791118 0.249500 O\n0.655401 0.655401 0.211555 O\n0.395985 0.835200 0.395985 O\n0.572239 0.572239 0.572239 O\n0.211555 0.655401 0.655401 O\n0.835200 0.395985 0.395985 O\n0.478018 0.478018 0.478018 O\n0.655401 0.211555 0.655401 O\n0.395985 0.395985 0.835200 O\n0.254590 0.254590 0.812805 O\n0.995252 0.437521 0.995252 O\n0.437521 0.995252 0.995252 O\n0.172160 0.172160 0.172160 O\n0.077590 0.077590 0.077590 O\n0.812805 0.254590 0.254590 O\n0.254590 0.812805 0.254590 O\n0.995252 0.995252 0.437521 O\n0.851927 0.851927 0.417752 O\n0.595538 0.036892 0.595538 O\n0.036892 0.595538 0.595538 O\n0.772063 0.772063 0.772063 O\n0.674999 0.674999 0.674999 O\n0.417752 0.851927 0.851927 O\n0.851927 0.417752 0.851927 O\n0.595538 0.595538 0.036892 O\n0.190791 0.651962 0.190791 O\n0.372772 0.372772 0.372772 O\n0.651962 0.190791 0.190791 O\n0.190791 0.190791 0.651962 O\n",
"nsites": 70,
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"density": 4.287840542713413,
"density_atomic": 0.10218208971687005,
"volume": 685.0515603464229,
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"formula_full": "Al20 Co10 O40",
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"formula_anonymous": "AB2C4",
"energy": -540.0476515299999,
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"spacegroup": 160
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{
"id": "mp-1238219",
"created_at": "2022-09-04T14:47:06.233676Z",
"structure_string": "Ho4 Sb4 O16\n1.0\n5.382537 0.000000 0.000000\n0.000000 7.555729 0.000000\n0.000000 1.187516 7.591217\nHo Sb O\n4 4 16\ndirect\n0.726515 0.882834 0.351109 Ho\n0.273485 0.117166 0.648891 Ho\n0.773485 0.382834 0.351109 Ho\n0.226515 0.617166 0.648891 Ho\n0.764786 0.307874 0.839129 Sb\n0.235214 0.692126 0.160871 Sb\n0.264786 0.192126 0.160871 Sb\n0.735214 0.807874 0.839129 Sb\n0.908510 0.807306 0.069914 O\n0.091490 0.192694 0.930086 O\n0.383547 0.938569 0.173991 O\n0.616453 0.061431 0.826009 O\n0.116453 0.438569 0.173991 O\n0.883547 0.561431 0.826009 O\n0.591490 0.307306 0.069914 O\n0.408510 0.692694 0.930086 O\n0.965163 0.321090 0.613778 O\n0.034837 0.678910 0.386222 O\n0.465163 0.178910 0.386222 O\n0.534837 0.821090 0.613778 O\n0.521682 0.617027 0.314502 O\n0.478318 0.382973 0.685498 O\n0.978318 0.117027 0.314502 O\n0.021682 0.882973 0.685498 O\n",
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"density_atomic": 0.07773855054929482,
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{
"id": "mp-1197723",
"created_at": "2022-09-04T14:47:06.235016Z",
"structure_string": "Zr12 Mn12 Si24\n1.0\n7.894073 0.000000 0.000000\n0.000000 9.051904 0.000000\n0.000000 0.000000 9.862206\nZr Mn Si\n12 12 24\ndirect\n0.745887 0.825602 0.048439 Zr\n0.745887 0.174398 0.951561 Zr\n0.254113 0.674398 0.548439 Zr\n0.254113 0.325602 0.451561 Zr\n0.254113 0.174398 0.951561 Zr\n0.254113 0.825602 0.048439 Zr\n0.745887 0.325602 0.451561 Zr\n0.745887 0.674398 0.548439 Zr\n0.500000 0.831190 0.321292 Zr\n0.500000 0.168810 0.678708 Zr\n0.500000 0.668810 0.821292 Zr\n0.500000 0.331190 0.178708 Zr\n0.749917 0.584020 0.251461 Mn\n0.749917 0.415980 0.748539 Mn\n0.250083 0.915980 0.751461 Mn\n0.250083 0.084020 0.248539 Mn\n0.250083 0.415980 0.748539 Mn\n0.250083 0.584020 0.251461 Mn\n0.749917 0.084020 0.248539 Mn\n0.749917 0.915980 0.751461 Mn\n0.747024 0.000000 0.500000 Mn\n0.252976 0.500000 0.000000 Mn\n0.252976 0.000000 0.500000 Mn\n0.747024 0.500000 0.000000 Mn\n0.850260 0.834872 0.319106 Si\n0.850260 0.165128 0.680894 Si\n0.149740 0.665128 0.819106 Si\n0.149740 0.334872 0.180894 Si\n0.149740 0.165128 0.680894 Si\n0.149740 0.834872 0.319106 Si\n0.850260 0.334872 0.180894 Si\n0.850260 0.665128 0.819106 Si\n0.500000 0.538723 0.379622 Si\n0.500000 0.461277 0.620378 Si\n0.500000 0.961277 0.879622 Si\n0.500000 0.038723 0.120378 Si\n0.000000 0.539565 0.374194 Si\n0.000000 0.460435 0.625806 Si\n0.000000 0.960435 0.874194 Si\n0.000000 0.039565 0.125806 Si\n0.500000 0.622064 0.106376 Si\n0.500000 0.377936 0.893624 Si\n0.500000 0.877936 0.606376 Si\n0.500000 0.122064 0.393624 Si\n0.000000 0.608893 0.102813 Si\n0.000000 0.391107 0.897187 Si\n0.000000 0.891107 0.602813 Si\n0.000000 0.108893 0.397187 Si\n",
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"density": 5.721132600158661,
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"formula_full": "Zr12 Mn12 Si24",
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{
"id": "mp-561351",
"created_at": "2022-09-04T14:47:06.241280Z",
"structure_string": "Si24 O48\n1.0\n5.283046 0.000000 0.000000\n0.000000 11.410330 0.000000\n0.000000 0.000000 22.080257\nSi O\n24 48\ndirect\n0.000000 0.273999 0.827635 Si\n0.000000 0.600700 0.371875 Si\n0.500000 0.991287 0.292074 Si\n0.000000 0.273999 0.172365 Si\n0.500000 0.229262 0.633042 Si\n0.500000 0.726001 0.327635 Si\n0.000000 0.353776 0.312789 Si\n0.500000 0.531750 0.000000 Si\n0.000000 0.008713 0.207926 Si\n0.500000 0.646224 0.812789 Si\n0.000000 0.770738 0.866958 Si\n0.500000 0.399300 0.871875 Si\n0.000000 0.468250 0.500000 Si\n0.000000 0.353776 0.687211 Si\n0.500000 0.726001 0.672365 Si\n0.000000 0.770738 0.133042 Si\n0.500000 0.229262 0.366958 Si\n0.500000 0.304837 0.500000 Si\n0.500000 0.399300 0.128125 Si\n0.500000 0.991287 0.707926 Si\n0.500000 0.646224 0.187211 Si\n0.000000 0.600700 0.628125 Si\n0.000000 0.695163 0.000000 Si\n0.000000 0.008713 0.792074 Si\n0.750370 0.613124 0.000000 O\n0.249731 0.681081 0.362940 O\n0.250269 0.318919 0.137060 O\n0.250000 0.000000 0.750000 O\n0.500000 0.504613 0.821704 O\n0.250533 0.299527 0.655557 O\n0.750269 0.681081 0.362940 O\n0.500000 0.676203 0.741264 O\n0.000000 0.323797 0.758736 O\n0.749731 0.318919 0.137060 O\n0.000000 0.778878 0.940447 O\n0.000000 0.550136 0.559727 O\n0.000000 0.323797 0.241264 O\n0.000000 0.495387 0.678296 O\n0.249467 0.700473 0.155557 O\n0.500000 0.868186 0.671410 O\n0.749630 0.386876 0.500000 O\n0.500000 0.449864 0.940273 O\n0.249467 0.700473 0.844443 O\n0.500000 0.221122 0.559553 O\n0.749467 0.299527 0.344443 O\n0.249731 0.681081 0.637060 O\n0.749467 0.299527 0.655557 O\n0.500000 0.504613 0.178296 O\n0.500000 0.221122 0.440447 O\n0.500000 0.096803 0.341010 O\n0.500000 0.449864 0.059727 O\n0.000000 0.550136 0.440273 O\n0.500000 0.096803 0.658990 O\n0.500000 0.868186 0.328590 O\n0.250370 0.386876 0.500000 O\n0.000000 0.131814 0.828590 O\n0.000000 0.495387 0.321704 O\n0.250269 0.318919 0.862940 O\n0.500000 0.676203 0.258736 O\n0.000000 0.903197 0.841010 O\n0.000000 0.131814 0.171410 O\n0.750269 0.681081 0.637060 O\n0.250533 0.299527 0.344443 O\n0.249630 0.613124 0.000000 O\n0.000000 0.778878 0.059553 O\n0.749731 0.318919 0.862940 O\n0.250000 0.000000 0.250000 O\n0.000000 0.903197 0.158990 O\n0.750533 0.700473 0.155557 O\n0.750533 0.700473 0.844443 O\n0.750000 0.000000 0.750000 O\n0.750000 0.000000 0.250000 O\n",
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{
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{
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{
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"structure_string": "Ba2 Zn1 Mo1 O6\n1.0\n0.000000 4.120398 4.120398\n4.120398 0.000000 4.120398\n4.120398 4.120398 0.000000\nBa Zn Mo O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Mo\n0.762376 0.237624 0.237624 O\n0.237624 0.762376 0.762376 O\n0.237624 0.762376 0.237624 O\n0.762376 0.237624 0.762376 O\n0.237624 0.237624 0.762376 O\n0.762376 0.762376 0.237624 O\n",
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