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{
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{
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},
{
"id": "mp-1214587",
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"structure_string": "Ba2 Nd1 Cu2 Hg1 O7\n1.0\n3.908054 0.000000 0.000000\n0.000000 3.908054 0.000000\n0.000000 0.000000 12.947547\nBa Nd Cu Hg O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.199815 Ba\n0.500000 0.500000 0.800185 Ba\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.364991 Cu\n0.000000 0.000000 0.635009 Cu\n0.000000 0.000000 0.000000 Hg\n0.000000 0.000000 0.162562 O\n0.000000 0.000000 0.837438 O\n0.000000 0.500000 0.381500 O\n0.000000 0.500000 0.618500 O\n0.500000 0.000000 0.381500 O\n0.500000 0.000000 0.618500 O\n0.500000 0.500000 0.000000 O\n",
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"density": 7.209715388425036,
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"volume": 197.74641017704005,
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"formula_full": "Ba2 Nd1 Cu2 Hg1 O7",
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"spacegroup": 123
},
{
"id": "mp-1306095",
"created_at": "2022-09-04T14:45:14.361253Z",
"structure_string": "V4 Cr2 O12\n1.0\n-1.292605 1.448875 5.175519\n7.101371 -0.021634 0.220631\n-0.742041 6.723849 0.216747\nV Cr O\n4 2 12\ndirect\n0.745060 0.211749 0.612291 V\n0.254883 0.788266 0.387650 V\n0.185591 0.391765 0.836897 V\n0.814306 0.608224 0.163189 V\n0.745977 0.082809 0.081913 Cr\n0.254258 0.917187 0.918026 Cr\n0.639411 0.037278 0.809357 O\n0.131927 0.167365 0.964834 O\n0.868126 0.832578 0.035109 O\n0.360655 0.962733 0.190578 O\n0.764406 0.107067 0.369501 O\n0.781185 0.371967 0.042932 O\n0.218861 0.628025 0.957158 O\n0.235590 0.892983 0.630375 O\n0.531261 0.372072 0.675576 O\n0.055454 0.335319 0.609428 O\n0.944415 0.664728 0.390678 O\n0.468635 0.627885 0.324508 O\n",
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"formula_full": "V4 Cr2 O12",
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},
{
"id": "mp-1218153",
"created_at": "2022-09-04T14:45:14.373800Z",
"structure_string": "Sr1 Li1 Al1 Sb2\n1.0\n2.300103 -3.983895 0.000000\n2.300103 3.983895 0.000000\n0.000000 0.000000 7.831278\nSr Li Al Sb\n1 1 1 2\ndirect\n0.333333 0.666667 0.026229 Sr\n0.666667 0.333333 0.366661 Li\n0.000000 0.000000 0.603317 Al\n0.000000 0.000000 0.266913 Sb\n0.666667 0.333333 0.736880 Sb\n",
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"density_atomic": 0.03483791855692438,
"volume": 143.52177762371517,
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"formula_full": "Sr1 Li1 Al1 Sb2",
"formula_reduced": "SrLiAlSb2",
"formula_anonymous": "ABCD2",
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"updated_at": "2021-11-28T01:36:57.993000Z",
"spacegroup": 156
},
{
"id": "mp-973882",
"created_at": "2022-09-04T14:45:14.379567Z",
"structure_string": "Lu2 Pd1 Rh1\n1.0\n0.000000 3.400376 3.400376\n3.400376 0.000000 3.400376\n3.400376 3.400376 0.000000\nLu Pd Rh\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Rh\n",
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"density": 11.810047521549805,
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"formula_full": "Lu2 Pd1 Rh1",
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"spacegroup": 225
},
{
"id": "mp-1175760",
"created_at": "2022-09-04T14:45:14.566651Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.969772 -0.001760 -2.457900\n-2.020199 6.105515 0.369653\n-0.212877 -0.185237 7.854127\nLi Mn Co O\n9 2 5 16\ndirect\n0.870063 0.062924 0.312749 Li\n0.865531 0.558921 0.806670 Li\n0.133172 0.932871 0.692483 Li\n0.125437 0.439294 0.187677 Li\n0.377770 0.807674 0.052033 Li\n0.383687 0.325035 0.575579 Li\n0.624428 0.683475 0.436718 Li\n0.622117 0.188939 0.938912 Li\n0.497263 0.745202 0.751925 Li\n0.995848 0.000738 0.994848 Mn\n0.253029 0.872579 0.378552 Mn\n0.007414 0.505499 0.509731 Co\n0.252605 0.378408 0.873515 Co\n0.500650 0.251612 0.248667 Co\n0.743341 0.620740 0.116417 Co\n0.749657 0.126136 0.623374 Co\n0.712185 0.900191 0.041499 O\n0.699185 0.394886 0.529791 O\n0.962647 0.777354 0.416647 O\n0.951775 0.271500 0.911622 O\n0.187452 0.636343 0.786469 O\n0.188392 0.138465 0.262044 O\n0.458750 0.522862 0.163414 O\n0.435395 0.023026 0.623859 O\n0.041142 0.228220 0.587719 O\n0.059755 0.735920 0.108157 O\n0.296740 0.102772 0.967014 O\n0.293453 0.600667 0.458784 O\n0.541813 0.973101 0.335044 O\n0.548476 0.463623 0.849333 O\n0.827448 0.873770 0.740956 O\n0.793382 0.357258 0.217798 O\n",
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],
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"density": 4.249241272240404,
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"volume": 282.5380111232265,
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"formula_full": "Li9 Mn2 Co5 O16",
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"spacegroup": 1
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{
"id": "mp-754901",
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"structure_string": "Li2 Cr1 Fe1 O4\n1.0\n-2.040091 2.040091 4.422565\n2.040091 -2.040091 4.422565\n2.040091 2.040091 -4.422565\nLi Cr Fe O\n2 1 1 4\ndirect\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.500000 Cr\n0.000000 0.000000 0.000000 Fe\n0.521261 0.021261 0.500000 O\n0.230701 0.230701 0.000000 O\n0.978739 0.478739 0.500000 O\n0.769299 0.769299 0.000000 O\n",
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{
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{
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"structure_string": "Y2 Ti4 O8\n1.0\n-3.045795 3.259489 4.446793\n3.045795 -3.259489 4.446793\n3.045795 3.259489 -4.446793\nY Ti O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.377148 0.127148 0.250000 Ti\n0.622852 0.872852 0.750000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.768038 0.761425 0.006613 O\n0.254812 0.761425 0.493387 O\n0.759282 0.772566 0.513284 O\n0.231962 0.238575 0.993387 O\n0.240718 0.754003 0.013284 O\n0.745188 0.238575 0.506613 O\n0.759282 0.245997 0.986716 O\n0.240718 0.227434 0.486716 O\n",
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"formula_full": "Y2 Ti4 O8",
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{
"id": "mp-1187615",
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{
"id": "mp-771232",
"created_at": "2022-09-04T14:45:13.435610Z",
"structure_string": "Li5 Mn2 Ni5 O12\n1.0\n4.422886 2.502311 0.000000\n-4.422886 2.502311 0.000000\n0.000000 1.790961 9.504644\nLi Mn Ni O\n5 2 5 12\ndirect\n0.834986 0.667141 0.258000 Li\n0.670165 0.836902 0.740683 Li\n0.332859 0.165014 0.742000 Li\n0.163098 0.329835 0.259317 Li\n0.084329 0.915671 0.500000 Li\n0.747053 0.252947 0.500000 Mn\n0.251310 0.748690 0.000000 Mn\n0.919834 0.080166 0.000000 Ni\n0.004385 0.511287 0.743416 Ni\n0.488713 0.995615 0.256584 Ni\n0.582995 0.417005 0.000000 Ni\n0.416911 0.583089 0.500000 Ni\n0.026481 0.223020 0.619942 O\n0.776980 0.973519 0.380058 O\n0.885934 0.386178 0.115655 O\n0.613822 0.114066 0.884345 O\n0.710214 0.522210 0.619342 O\n0.477790 0.289786 0.380658 O\n0.523745 0.708910 0.118217 O\n0.291090 0.476255 0.881783 O\n0.395897 0.891247 0.618294 O\n0.108753 0.604103 0.381706 O\n0.212214 0.019558 0.119505 O\n0.980442 0.787786 0.880495 O\n",
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]
}