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{
"id": "mp-1314393",
"created_at": "2022-09-04T14:39:20.170272Z",
"structure_string": "Li6 Mn6 Co2 O16\n1.0\n1.756670 -2.631205 -5.004172\n5.273721 1.469583 -2.521729\n1.726255 -8.697534 4.890964\nLi Mn Co O\n6 6 2 16\ndirect\n0.975216 0.499542 0.988772 Li\n0.540526 0.506747 0.526817 Li\n0.743748 0.497194 0.250881 Li\n0.253084 0.507393 0.750939 Li\n0.478972 0.500068 0.012695 Li\n0.022105 0.489298 0.479839 Li\n0.253515 0.016459 0.752398 Mn\n0.011590 0.992537 0.498198 Mn\n0.248551 0.985833 0.246749 Mn\n0.744424 0.991287 0.249083 Mn\n0.492072 0.001029 0.999956 Mn\n0.754528 0.010610 0.751040 Mn\n0.995216 0.001129 0.999749 Co\n0.502707 0.000170 0.499864 Co\n0.901405 0.229185 0.374403 O\n0.344638 0.256145 0.869208 O\n0.592330 0.744045 0.129474 O\n0.158790 0.774497 0.628351 O\n0.129845 0.201593 0.119105 O\n0.665146 0.214466 0.619334 O\n0.641249 0.198766 0.115283 O\n0.174700 0.219557 0.621998 O\n0.384668 0.194251 0.361468 O\n0.897673 0.212544 0.871394 O\n0.100028 0.791193 0.128874 O\n0.610771 0.802355 0.635952 O\n0.835273 0.777955 0.380227 O\n0.344287 0.801659 0.880623 O\n0.349306 0.779849 0.373980 O\n0.853637 0.802642 0.883347 O\n",
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],
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},
{
"id": "mp-1182768",
"created_at": "2022-09-04T14:39:20.174707Z",
"structure_string": "La8 N24 O104\n1.0\n13.462347 0.000000 -0.000000\n0.000000 13.740702 0.000000\n-0.000000 0.000000 13.201294\nLa N O\n8 24 104\ndirect\n0.606602 0.219563 0.366057 La\n0.106602 0.280437 0.633943 La\n0.393398 0.719563 0.133943 La\n0.893398 0.780437 0.866057 La\n0.393398 0.780437 0.633943 La\n0.893398 0.719563 0.366057 La\n0.606602 0.280437 0.866057 La\n0.106602 0.219563 0.133943 La\n0.521193 0.023126 0.363273 N\n0.021193 0.476874 0.636727 N\n0.478807 0.523126 0.136727 N\n0.978807 0.976874 0.863273 N\n0.478807 0.976874 0.636727 N\n0.978807 0.523126 0.363273 N\n0.521193 0.476874 0.863273 N\n0.021193 0.023126 0.136727 N\n0.622111 0.217877 0.139497 N\n0.122111 0.282123 0.860503 N\n0.377889 0.717877 0.360503 N\n0.877889 0.782123 0.639497 N\n0.377889 0.782123 0.860503 N\n0.877889 0.717877 0.139497 N\n0.622111 0.282123 0.639497 N\n0.122111 0.217877 0.360503 N\n0.497009 0.402478 0.377199 N\n0.997009 0.097522 0.622801 N\n0.502991 0.902478 0.122801 N\n0.002991 0.597522 0.877199 N\n0.502991 0.597522 0.622801 N\n0.002991 0.902478 0.377199 N\n0.497009 0.097522 0.877199 N\n0.997009 0.402478 0.122801 N\n0.479433 0.944709 0.354017 O\n0.979433 0.555291 0.645983 O\n0.520567 0.444709 0.145983 O\n0.020567 0.055291 0.854017 O\n0.520567 0.055291 0.645983 O\n0.020567 0.444709 0.354017 O\n0.479433 0.555291 0.854017 O\n0.979433 0.944709 0.145983 O\n0.610697 0.038664 0.331363 O\n0.110697 0.461336 0.668637 O\n0.389303 0.538664 0.168637 O\n0.889303 0.961336 0.831363 O\n0.389303 0.961336 0.668637 O\n0.889303 0.538664 0.331363 O\n0.610697 0.461336 0.831363 O\n0.110697 0.038664 0.168637 O\n0.477974 0.097424 0.405820 O\n0.977974 0.402576 0.594180 O\n0.522026 0.597424 0.094180 O\n0.022026 0.902576 0.905820 O\n0.522026 0.902576 0.594180 O\n0.022026 0.597424 0.405820 O\n0.477974 0.402576 0.905820 O\n0.977974 0.097424 0.094180 O\n0.700239 0.209075 0.192482 O\n0.200239 0.290925 0.807518 O\n0.299761 0.709075 0.307518 O\n0.799761 0.790925 0.692482 O\n0.299761 0.790925 0.807518 O\n0.799761 0.709075 0.192482 O\n0.700239 0.290925 0.692482 O\n0.200239 0.209075 0.307518 O\n0.628079 0.229521 0.045096 O\n0.128079 0.270479 0.954904 O\n0.371921 0.729521 0.454904 O\n0.871921 0.770479 0.545096 O\n0.371921 0.770479 0.954904 O\n0.871921 0.729521 0.045096 O\n0.628079 0.270479 0.545096 O\n0.128079 0.229521 0.454904 O\n0.538112 0.215771 0.183337 O\n0.038112 0.284229 0.816663 O\n0.461888 0.715771 0.316663 O\n0.961888 0.784229 0.683337 O\n0.461888 0.784229 0.816663 O\n0.961888 0.715771 0.183337 O\n0.538112 0.284229 0.683337 O\n0.038112 0.215771 0.316663 O\n0.451055 0.478078 0.388526 O\n0.951055 0.021922 0.611474 O\n0.548945 0.978078 0.111474 O\n0.048945 0.521922 0.888526 O\n0.548945 0.521922 0.611474 O\n0.048945 0.978078 0.388526 O\n0.451055 0.021922 0.888526 O\n0.951055 0.478078 0.111474 O\n0.592437 0.400332 0.362585 O\n0.092437 0.099668 0.637415 O\n0.407563 0.900332 0.137415 O\n0.907563 0.599668 0.862585 O\n0.407563 0.599668 0.637415 O\n0.907563 0.900332 0.362585 O\n0.592437 0.099668 0.862585 O\n0.092437 0.400332 0.137415 O\n0.454113 0.317568 0.379313 O\n0.954113 0.182432 0.620687 O\n0.545887 0.817568 0.120687 O\n0.045887 0.682432 0.879313 O\n0.545887 0.682432 0.620687 O\n0.045887 0.817568 0.379313 O\n0.454113 0.182432 0.879313 O\n0.954113 0.317568 0.120687 O\n0.781542 0.100525 0.471139 O\n0.281542 0.399475 0.528861 O\n0.218458 0.600525 0.028861 O\n0.718458 0.899475 0.971139 O\n0.218458 0.899475 0.528861 O\n0.718458 0.600525 0.471139 O\n0.781542 0.399475 0.971139 O\n0.281542 0.100525 0.028861 O\n0.838640 0.107204 0.398208 O\n0.338640 0.392796 0.601792 O\n0.161360 0.607204 0.101792 O\n0.661360 0.892796 0.898208 O\n0.161360 0.892796 0.601792 O\n0.661360 0.607204 0.398208 O\n0.838640 0.392796 0.898208 O\n0.338640 0.107204 0.101792 O\n0.851461 0.332371 0.417778 O\n0.351461 0.167629 0.582222 O\n0.148539 0.832371 0.082222 O\n0.648539 0.667629 0.917778 O\n0.148539 0.667629 0.582222 O\n0.648539 0.832371 0.417778 O\n0.851461 0.167629 0.917778 O\n0.351461 0.332371 0.082222 O\n0.801138 0.321823 0.340398 O\n0.301138 0.178177 0.659602 O\n0.198862 0.821823 0.159602 O\n0.698862 0.678177 0.840398 O\n0.198862 0.678177 0.659602 O\n0.698862 0.821823 0.340398 O\n0.801138 0.178177 0.840398 O\n0.301138 0.321823 0.159602 O\n",
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"elements": [
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"N",
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],
"chemical_system": "La-N-O",
"density": 2.1156833421869203,
"density_atomic": 0.05569198579146382,
"volume": 2442.0030650235026,
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"formula_full": "La8 N24 O104",
"formula_reduced": "LaN3O13",
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"energy": -866.01466007,
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"updated_at": "2021-11-28T01:34:27.646000Z",
"spacegroup": 61
},
{
"id": "mp-1173284",
"created_at": "2022-09-04T14:39:20.176042Z",
"structure_string": "Sr24 Fe12 Mo12 O72\n1.0\n4.883240 -0.003274 -2.815004\n-1.622503 4.598003 -2.810554\n0.303503 0.492886 68.176647\nSr Fe Mo O\n24 12 12 72\ndirect\n0.244050 0.743147 0.957323 Sr\n0.248708 0.748924 0.874758 Sr\n0.748540 0.249228 0.958189 Sr\n0.242696 0.742632 0.790614 Sr\n0.748450 0.248164 0.874741 Sr\n0.250482 0.748594 0.708231 Sr\n0.740633 0.242447 0.790271 Sr\n0.258011 0.761599 0.626690 Sr\n0.751986 0.249657 0.708445 Sr\n0.254513 0.753881 0.542205 Sr\n0.755262 0.256959 0.626204 Sr\n0.250686 0.750065 0.458473 Sr\n0.755456 0.254879 0.542338 Sr\n0.250425 0.750077 0.375019 Sr\n0.750886 0.250191 0.458472 Sr\n0.250786 0.749405 0.291661 Sr\n0.750701 0.250162 0.375042 Sr\n0.249461 0.750132 0.208365 Sr\n0.750725 0.249511 0.291670 Sr\n0.249232 0.749657 0.124908 Sr\n0.749482 0.250180 0.208365 Sr\n0.249417 0.749359 0.041550 Sr\n0.749573 0.249934 0.124960 Sr\n0.746922 0.246791 0.041112 Sr\n0.001602 0.001996 0.916946 Fe\n0.997270 0.997986 0.832837 Fe\n0.000129 0.000573 0.666840 Fe\n0.003686 0.003974 0.583787 Fe\n0.999524 0.999390 0.750034 Fe\n0.000574 0.000120 0.416739 Fe\n0.000615 0.999272 0.333315 Fe\n0.002632 0.001969 0.500365 Fe\n0.995542 0.996316 0.165998 Fe\n0.001268 0.000982 0.250221 Fe\n0.505368 0.505448 0.084230 Fe\n0.491669 0.491329 0.998556 Fe\n0.494023 0.494530 0.915693 Mo\n0.497738 0.498845 0.832999 Mo\n0.496606 0.495989 0.749485 Mo\n0.502678 0.502872 0.667223 Mo\n0.504745 0.505484 0.584039 Mo\n0.502073 0.501293 0.500265 Mo\n0.500601 0.500352 0.416767 Mo\n0.501367 0.499964 0.333441 Mo\n0.499495 0.499324 0.249934 Mo\n0.994734 0.994885 0.082464 Mo\n0.502949 0.503813 0.167240 Mo\n0.002614 0.002252 0.000373 Mo\n0.250246 0.249550 0.957986 O\n0.215112 0.717240 0.916003 O\n0.287514 0.225473 0.916377 O\n0.246404 0.248556 0.874574 O\n0.748566 0.748050 0.958043 O\n0.711022 0.773084 0.916645 O\n0.217937 0.703011 0.832912 O\n0.776813 0.275411 0.916005 O\n0.284091 0.209048 0.833139 O\n0.247872 0.252757 0.791451 O\n0.747910 0.750276 0.874883 O\n0.713493 0.789198 0.833011 O\n0.214404 0.715116 0.750056 O\n0.776103 0.293884 0.832926 O\n0.280419 0.212475 0.749205 O\n0.250239 0.244894 0.709079 O\n0.747368 0.748930 0.790773 O\n0.710775 0.778909 0.749686 O\n0.211457 0.712131 0.666506 O\n0.781024 0.279648 0.749196 O\n0.292996 0.221171 0.667727 O\n0.261459 0.261786 0.626283 O\n0.740639 0.739085 0.707719 O\n0.714510 0.787065 0.667197 O\n0.228623 0.712889 0.584327 O\n0.794471 0.294098 0.667865 O\n0.289683 0.215137 0.583989 O\n0.253969 0.252749 0.542073 O\n0.752032 0.758489 0.625521 O\n0.722201 0.794860 0.584158 O\n0.212763 0.716002 0.500236 O\n0.782945 0.299227 0.584121 O\n0.295981 0.223526 0.500221 O\n0.250062 0.250441 0.458386 O\n0.754969 0.752234 0.542236 O\n0.708338 0.779884 0.500404 O\n0.223081 0.706143 0.416776 O\n0.790966 0.286464 0.500281 O\n0.285372 0.211366 0.416737 O\n0.249959 0.248980 0.374889 O\n0.751043 0.751357 0.458626 O\n0.715167 0.789008 0.416705 O\n0.211957 0.714293 0.333378 O\n0.777787 0.294291 0.416697 O\n0.294523 0.221475 0.333291 O\n0.250001 0.247781 0.291523 O\n0.752062 0.750358 0.375192 O\n0.706406 0.777541 0.333401 O\n0.221799 0.705358 0.249922 O\n0.789632 0.284927 0.333378 O\n0.283927 0.210452 0.249903 O\n0.248272 0.249136 0.208093 O\n0.750174 0.749505 0.291765 O\n0.714831 0.788191 0.249939 O\n0.212637 0.715400 0.166989 O\n0.778512 0.294832 0.250175 O\n0.294690 0.222242 0.166600 O\n0.248694 0.249092 0.124815 O\n0.749715 0.751659 0.208441 O\n0.703938 0.777661 0.166611 O\n0.203746 0.721102 0.083176 O\n0.790347 0.289134 0.166966 O\n0.286846 0.209952 0.082877 O\n0.250231 0.249670 0.041607 O\n0.749481 0.749822 0.124956 O\n0.707835 0.784888 0.082903 O\n0.213766 0.713553 0.000030 O\n0.794468 0.277295 0.083196 O\n0.277638 0.198360 0.999250 O\n0.746859 0.746922 0.041139 O\n0.714893 0.793687 0.999358 O\n0.787751 0.287284 0.000101 O\n",
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],
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"formula_full": "Sr24 Fe12 Mo12 O72",
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"updated_at": "2021-11-28T01:34:42.177000Z",
"spacegroup": 1
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{
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"structure_string": "Tb1 Ag3\n1.0\n-2.272923 2.272923 4.046420\n2.272923 -2.272923 4.046420\n2.272923 2.272923 -4.046420\nTb Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
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"formula_full": "Tb1 Ag3",
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{
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"structure_string": "Dy1 U3\n1.0\n-2.196061 2.196061 4.756979\n2.196061 -2.196061 4.756979\n2.196061 2.196061 -4.756979\nDy U\n1 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.750000 0.250000 0.500000 U\n0.250000 0.750000 0.500000 U\n0.500000 0.500000 0.000000 U\n",
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{
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"spacegroup": 8
}
]
}