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{
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{
"id": "mp-1229095",
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"structure_string": "Ba2 Ca1 Ce1 Gd2 Ti2 Cu2 O14\n1.0\n3.904593 0.000000 -0.000000\n0.000000 3.904593 0.000000\n0.000000 0.000000 20.752387\nBa Ca Ce Gd Ti Cu O\n2 1 1 2 2 2 14\ndirect\n0.750000 0.750000 0.755408 Ba\n0.250000 0.250000 0.241500 Ba\n0.750000 0.750000 0.565592 Ca\n0.250000 0.250000 0.059652 Ce\n0.250000 0.250000 0.439755 Gd\n0.750000 0.750000 0.936519 Gd\n0.250000 0.250000 0.647852 Ti\n0.750000 0.750000 0.352649 Ti\n0.250000 0.250000 0.853054 Cu\n0.750000 0.750000 0.144736 Cu\n0.250000 0.250000 0.737663 O\n0.750000 0.750000 0.262839 O\n0.750000 0.250000 0.639729 O\n0.250000 0.750000 0.639729 O\n0.250000 0.750000 0.361539 O\n0.750000 0.250000 0.361539 O\n0.250000 0.250000 0.541782 O\n0.750000 0.750000 0.453414 O\n0.750000 0.250000 0.002296 O\n0.250000 0.750000 0.002296 O\n0.750000 0.250000 0.863589 O\n0.250000 0.750000 0.863589 O\n0.250000 0.750000 0.136642 O\n0.750000 0.250000 0.136642 O\n",
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"formula_reduced": "Ba2CaCeGd2Ti2(CuO7)2",
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{
"id": "mp-1210605",
"created_at": "2022-09-04T14:40:10.192367Z",
"structure_string": "Mg2 Se2 O10\n1.0\n3.961223 3.564185 0.000000\n-3.961223 3.564185 0.000000\n0.000000 2.991256 7.278320\nMg Se O\n2 2 10\ndirect\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.913835 0.086165 0.750000 Se\n0.086165 0.913835 0.250000 Se\n0.332479 0.667521 0.750000 O\n0.667521 0.332479 0.250000 O\n0.779619 0.187512 0.581679 O\n0.220381 0.812488 0.418321 O\n0.812488 0.220381 0.918321 O\n0.187512 0.779619 0.081679 O\n0.245957 0.171665 0.664874 O\n0.754043 0.828335 0.335126 O\n0.828335 0.754043 0.835126 O\n0.171665 0.245957 0.164874 O\n",
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"density": 2.9614257153196455,
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"volume": 205.51838180442266,
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"formula_full": "Mg2 Se2 O10",
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"updated_at": "2021-11-28T01:34:50.148000Z",
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{
"id": "mp-758637",
"created_at": "2022-09-04T14:40:10.197863Z",
"structure_string": "Li8 Co4 Si4 O16\n1.0\n-0.401504 0.000391 6.323379\n5.384832 5.010458 0.398992\n-5.385077 5.010656 -0.398380\nLi Co Si O\n8 4 4 16\ndirect\n0.268636 0.671200 0.328353 Li\n0.268629 0.171209 0.828372 Li\n0.731334 0.578356 0.921210 Li\n0.731344 0.078358 0.421182 Li\n0.500381 0.331923 0.166806 Li\n0.500377 0.831898 0.666805 Li\n0.499619 0.916811 0.081910 Li\n0.499617 0.416825 0.581903 Li\n0.006552 0.840182 0.658569 Co\n0.993397 0.408519 0.590271 Co\n0.006561 0.340141 0.158596 Co\n0.993418 0.908481 0.090230 Co\n0.742636 0.659208 0.334065 Si\n0.742665 0.159256 0.834121 Si\n0.257404 0.584018 0.909201 Si\n0.257358 0.084073 0.409210 Si\n0.967659 0.138326 0.957422 O\n0.967656 0.638270 0.457316 O\n0.032337 0.707442 0.888183 O\n0.032246 0.207465 0.388161 O\n0.536269 0.144065 0.960666 O\n0.536281 0.644050 0.460658 O\n0.463715 0.710668 0.894065 O\n0.463701 0.210676 0.394065 O\n0.750967 0.491973 0.170997 O\n0.751001 0.991990 0.671080 O\n0.249154 0.420946 0.741961 O\n0.249078 0.920982 0.241987 O\n0.750694 0.357883 0.742508 O\n0.750658 0.857821 0.242415 O\n0.249321 0.492455 0.107826 O\n0.249336 0.992460 0.607813 O\n",
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],
"chemical_system": "Co-Li-O-Si",
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"formula_full": "Li8 Co4 Si4 O16",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 4
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{
"id": "mp-530399",
"created_at": "2022-09-04T14:40:10.198885Z",
"structure_string": "Li4 Al20 O32\n1.0\n7.987367 0.000000 0.000000\n0.000000 7.987367 0.000000\n0.000000 0.000000 7.987367\nLi Al O\n4 20 32\ndirect\n0.125000 0.875000 0.375000 Li\n0.375000 0.125000 0.875000 Li\n0.625000 0.625000 0.625000 Li\n0.875000 0.375000 0.125000 Li\n0.997622 0.997622 0.997622 Al\n0.002378 0.497622 0.502378 Al\n0.118726 0.625000 0.131274 Al\n0.125000 0.368726 0.881274 Al\n0.131274 0.118726 0.625000 Al\n0.247622 0.747622 0.752378 Al\n0.252378 0.252378 0.252378 Al\n0.368726 0.881274 0.125000 Al\n0.375000 0.631274 0.381274 Al\n0.381274 0.375000 0.631274 Al\n0.497622 0.502378 0.002378 Al\n0.502378 0.002378 0.497622 Al\n0.618726 0.875000 0.868726 Al\n0.625000 0.131274 0.118726 Al\n0.631274 0.381274 0.375000 Al\n0.747622 0.752378 0.247622 Al\n0.752378 0.247622 0.747622 Al\n0.868726 0.618726 0.875000 Al\n0.875000 0.868726 0.618726 Al\n0.881274 0.125000 0.368726 Al\n0.614494 0.885506 0.114494 O\n0.615474 0.614717 0.366894 O\n0.864494 0.864494 0.864494 O\n0.865474 0.116894 0.135283 O\n0.866894 0.884526 0.385283 O\n0.885283 0.633106 0.115474 O\n0.114494 0.614494 0.885506 O\n0.114717 0.133106 0.384526 O\n0.115474 0.885283 0.633106 O\n0.116894 0.135283 0.865474 O\n0.133106 0.384526 0.114717 O\n0.135283 0.865474 0.116894 O\n0.364494 0.635506 0.135506 O\n0.364717 0.134526 0.616894 O\n0.365474 0.383106 0.864717 O\n0.366894 0.615474 0.614717 O\n0.383106 0.864717 0.365474 O\n0.384526 0.114717 0.133106 O\n0.385283 0.866894 0.884526 O\n0.385506 0.385506 0.385506 O\n0.614717 0.366894 0.615474 O\n0.616894 0.364717 0.134526 O\n0.633106 0.115474 0.885283 O\n0.634526 0.883106 0.635283 O\n0.635283 0.634526 0.883106 O\n0.635506 0.135506 0.364494 O\n0.864717 0.365474 0.383106 O\n0.883106 0.635283 0.634526 O\n0.884526 0.385283 0.866894 O\n0.885506 0.114494 0.614494 O\n0.134526 0.616894 0.364717 O\n0.135506 0.364494 0.635506 O\n",
"nsites": 56,
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"chemical_system": "Al-Li-O",
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"formula_full": "Li4 Al20 O32",
"formula_reduced": "LiAl5O8",
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{
"id": "mp-1517147",
"created_at": "2022-09-04T14:40:10.203251Z",
"structure_string": "Ca2 Nd2 Eu2 Sb2 O12\n1.0\n5.898909 0.000000 0.000000\n0.000000 5.898909 0.000000\n0.000000 0.000000 8.568253\nCa Nd Eu Sb O\n2 2 2 2 12\ndirect\n-0.000000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.500000 -0.000000 0.250000 Eu\n-0.000000 0.500000 0.750000 Eu\n0.000000 -0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n-0.000000 -0.000000 0.266377 O\n0.500000 0.500000 0.233623 O\n0.000000 0.000000 0.733623 O\n0.500000 0.500000 0.766377 O\n0.347976 0.193911 0.992138 O\n0.652024 0.806089 0.992138 O\n0.806089 0.347976 0.007862 O\n0.193911 0.652024 0.007862 O\n0.847976 0.306089 0.492138 O\n0.152024 0.693911 0.492138 O\n0.306089 0.152024 0.507862 O\n0.693911 0.847976 0.507862 O\n",
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"formula_full": "Ca2 Nd2 Eu2 Sb2 O12",
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{
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"structure_string": "Tm2 Os1 Au1\n1.0\n0.000000 3.452891 3.452891\n3.452891 0.000000 3.452891\n3.452891 3.452891 0.000000\nTm Os Au\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Au\n",
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{
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"structure_string": "Li8 V4 O8 F4\n1.0\n0.012077 -4.166472 -4.171931\n-2.144183 -6.269686 4.198061\n-4.281281 4.178033 0.000987\nLi V O F\n8 4 8 4\ndirect\n0.833522 0.333321 0.833356 Li\n0.333180 0.333365 0.833368 Li\n0.333296 0.333236 0.333222 Li\n0.833431 0.333417 0.333540 Li\n0.665210 0.673278 0.166198 Li\n0.164946 0.673230 0.166172 Li\n0.001682 0.993396 0.500419 Li\n0.501438 0.993354 0.500397 Li\n0.674593 0.662227 0.675834 V\n0.492054 0.004462 0.990820 V\n0.174718 0.662323 0.675986 V\n0.991939 0.004352 0.990687 V\n0.844317 0.823658 0.594418 O\n0.344469 0.823695 0.594443 O\n0.822178 0.842981 0.072190 O\n0.322334 0.843012 0.072211 O\n0.671776 0.159048 0.925576 O\n0.171635 0.158905 0.925043 O\n0.494910 0.507651 0.741124 O\n0.995037 0.507781 0.741651 O\n0.003146 0.502714 0.258047 F\n0.503246 0.502518 0.257666 F\n0.663422 0.164127 0.408985 F\n0.163523 0.163949 0.408644 F\n",
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{
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"formula_full": "Sr3 Al2 Ge4",
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{
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"structure_string": "Gd6 Cu2 Sn2 S14\n1.0\n4.946949 -8.568367 0.000000\n4.946949 8.568367 0.000000\n0.000000 0.000000 6.226479\nGd Cu Sn S\n6 2 2 14\ndirect\n0.641376 0.858631 0.767571 Gd\n0.358624 0.141369 0.267571 Gd\n0.217255 0.358624 0.767571 Gd\n0.782745 0.641376 0.267571 Gd\n0.858631 0.217255 0.267571 Gd\n0.141369 0.782745 0.767571 Gd\n0.000000 0.000000 0.167388 Cu\n0.000000 0.000000 0.667388 Cu\n0.666667 0.333333 0.833980 Sn\n0.333333 0.666667 0.333980 Sn\n0.483957 0.568492 0.513564 S\n0.084535 0.516043 0.513564 S\n0.915465 0.483957 0.013564 S\n0.666667 0.333333 0.449392 S\n0.892998 0.151531 0.696712 S\n0.568492 0.084535 0.013564 S\n0.333333 0.666667 0.949392 S\n0.431508 0.915465 0.513564 S\n0.258534 0.107002 0.696712 S\n0.151531 0.258534 0.196712 S\n0.741466 0.892998 0.196712 S\n0.516043 0.431508 0.013564 S\n0.107002 0.848469 0.196712 S\n0.848469 0.741466 0.696712 S\n",
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{
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"structure_string": "Y2 Ga1 Pd1\n1.0\n-5.234957 5.925648 8.379968\n5.234957 -5.925648 8.379968\n5.234957 5.925648 -8.379968\nY Ga Pd\n2 1 1\ndirect\n0.000000 0.254057 0.254057 Y\n0.000000 0.745943 0.745943 Y\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
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