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{
"id": "mp-554626",
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{
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"formula_full": "Li4 Fe2 Co6 O16",
"formula_reduced": "Li2FeCo3O8",
"formula_anonymous": "AB2C3D8",
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"spacegroup": 2
},
{
"id": "mp-1214566",
"created_at": "2022-09-04T14:39:29.607468Z",
"structure_string": "Ba12 Co4 O20\n1.0\n7.388611 0.000022 -0.000021\n0.000022 7.388600 0.000004\n-0.000033 0.000006 11.734498\nBa Co O\n12 4 20\ndirect\n0.999999 0.000002 0.250002 Ba\n0.500002 0.500001 0.749997 Ba\n0.500000 0.499999 0.250000 Ba\n0.000001 0.000000 0.750000 Ba\n0.676118 0.176115 0.000005 Ba\n0.176118 0.676113 0.500000 Ba\n0.323885 0.823885 0.000002 Ba\n0.823881 0.323888 0.499998 Ba\n0.823883 0.676116 0.000001 Ba\n0.323884 0.176115 0.499998 Ba\n0.176114 0.323885 0.999998 Ba\n0.676118 0.823883 0.499997 Ba\n0.500001 0.000002 0.750000 Co\n0.000000 0.500000 0.750001 Co\n0.999999 0.500000 0.250001 Co\n0.500000 0.000000 0.250000 Co\n0.000000 0.000001 0.000012 O\n0.499999 0.500000 0.499990 O\n0.499999 0.499998 0.000010 O\n0.999997 0.000001 0.499989 O\n0.136779 0.636779 0.156335 O\n0.636776 0.136775 0.656333 O\n0.363219 0.863218 0.343662 O\n0.863222 0.363222 0.843666 O\n0.863221 0.363221 0.156336 O\n0.363226 0.863225 0.656335 O\n0.363219 0.136780 0.156337 O\n0.863224 0.636775 0.656334 O\n0.863222 0.636780 0.343664 O\n0.363224 0.136778 0.843665 O\n0.636781 0.136782 0.343662 O\n0.136777 0.636778 0.843667 O\n0.136780 0.363221 0.343665 O\n0.636776 0.863223 0.843666 O\n0.636780 0.863217 0.156337 O\n0.136776 0.363223 0.656334 O\n",
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"elements": [
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],
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"volume": 640.6037446984542,
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"formula_full": "Ba12 Co4 O20",
"formula_reduced": "Ba3CoO5",
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"spacegroup": 140
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{
"id": "mp-1188655",
"created_at": "2022-09-04T14:39:29.463208Z",
"structure_string": "Ir8 S12\n1.0\n6.066270 0.000000 0.000000\n0.000000 6.196189 0.000000\n0.000000 0.000000 8.555082\nIr S\n8 12\ndirect\n0.749184 0.530427 0.108283 Ir\n0.750816 0.030427 0.391717 Ir\n0.750816 0.469573 0.608283 Ir\n0.749184 0.969573 0.891717 Ir\n0.250816 0.469573 0.891717 Ir\n0.249184 0.969573 0.608283 Ir\n0.249184 0.530427 0.391717 Ir\n0.250816 0.030427 0.108283 Ir\n0.609786 0.892427 0.150131 S\n0.890214 0.392427 0.349869 S\n0.890214 0.107573 0.650131 S\n0.609786 0.607573 0.849869 S\n0.390214 0.107573 0.849869 S\n0.109786 0.607573 0.650131 S\n0.109786 0.892427 0.349869 S\n0.390214 0.392427 0.150131 S\n0.044787 0.750000 0.000000 S\n0.455213 0.250000 0.500000 S\n0.955213 0.250000 0.000000 S\n0.544787 0.750000 0.500000 S\n",
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"density": 9.927696484528779,
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"volume": 321.5663300281782,
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"formula_full": "Ir8 S12",
"formula_reduced": "Ir2S3",
"formula_anonymous": "A2B3",
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},
{
"id": "mp-1219359",
"created_at": "2022-09-04T14:39:29.465969Z",
"structure_string": "Sm2 Al2 Fe15 C1\n1.0\n4.293381 4.867439 0.000000\n-4.293381 4.867439 0.000000\n0.000000 1.055224 6.383852\nSm Al Fe C\n2 2 15 1\ndirect\n0.345540 0.345540 0.359675 Sm\n0.654460 0.654460 0.640325 Sm\n0.104064 0.104064 0.102567 Al\n0.895936 0.895936 0.897433 Al\n0.655619 0.655619 0.148049 Fe\n0.658247 0.149805 0.655760 Fe\n0.149805 0.658247 0.655760 Fe\n0.344381 0.344381 0.851951 Fe\n0.341753 0.850195 0.344240 Fe\n0.850195 0.341753 0.344240 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.715105 0.284895 0.000000 Fe\n0.284001 0.998810 0.715745 Fe\n0.001190 0.715999 0.284255 Fe\n0.715999 0.001190 0.284255 Fe\n0.998810 0.284001 0.715745 Fe\n0.284895 0.715105 0.000000 Fe\n0.500000 0.500000 0.000000 C\n",
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{
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"structure_string": "Ba1 Eu1 Y1 Sn1 O6\n1.0\n0.000000 -4.262644 -4.262644\n4.262644 0.000000 -4.262644\n4.262644 -4.262644 -0.000000\nBa Eu Y Sn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.758289 0.241711 0.241711 O\n0.241711 0.758289 0.758289 O\n0.758289 0.241711 0.758289 O\n0.241711 0.758289 0.241711 O\n0.758289 0.758289 0.241711 O\n0.241711 0.241711 0.758289 O\n",
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{
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"structure_string": "Y2 Tl10 Co4 N24 O48\n1.0\n10.600857 0.000000 0.000000\n0.000000 10.600857 0.000000\n0.000000 0.000000 10.600857\nY Tl Co N O\n2 10 4 24 48\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.250000 0.250000 0.750000 Tl\n0.250000 0.750000 0.250000 Tl\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n0.750000 0.750000 0.750000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.500000 0.000000 Tl\n0.750000 0.250000 0.250000 Tl\n0.000000 0.000000 0.500000 Tl\n0.750000 0.750000 0.250000 Co\n0.250000 0.750000 0.750000 Co\n0.750000 0.250000 0.750000 Co\n0.250000 0.250000 0.250000 Co\n0.252286 0.259118 0.434495 N\n0.565505 0.747714 0.259118 N\n0.434495 0.747714 0.740882 N\n0.259118 0.565505 0.747714 N\n0.747714 0.740882 0.434495 N\n0.759118 0.065505 0.752286 N\n0.065505 0.752286 0.759118 N\n0.565505 0.252286 0.740882 N\n0.259118 0.434495 0.252286 N\n0.752286 0.240882 0.934495 N\n0.740882 0.565505 0.252286 N\n0.247714 0.240882 0.065505 N\n0.252286 0.740882 0.565505 N\n0.759118 0.934495 0.247714 N\n0.434495 0.252286 0.259118 N\n0.240882 0.934495 0.752286 N\n0.240882 0.065505 0.247714 N\n0.934495 0.752286 0.240882 N\n0.740882 0.434495 0.747714 N\n0.747714 0.259118 0.565505 N\n0.247714 0.759118 0.934495 N\n0.752286 0.759118 0.065505 N\n0.934495 0.247714 0.759118 N\n0.065505 0.247714 0.240882 N\n0.254824 0.993283 0.650551 O\n0.754824 0.493283 0.849449 O\n0.150551 0.754824 0.506717 O\n0.006717 0.349449 0.254824 O\n0.650551 0.254824 0.993283 O\n0.996572 0.851852 0.214018 O\n0.148148 0.214018 0.003428 O\n0.714018 0.503428 0.351852 O\n0.349449 0.745176 0.993283 O\n0.785982 0.996572 0.148148 O\n0.849449 0.754824 0.493283 O\n0.148148 0.785982 0.996572 O\n0.506717 0.150551 0.754824 O\n0.648148 0.714018 0.496572 O\n0.785982 0.003428 0.851852 O\n0.650551 0.745176 0.006717 O\n0.648148 0.285982 0.503428 O\n0.993283 0.650551 0.254824 O\n0.849449 0.245176 0.506717 O\n0.851852 0.785982 0.003428 O\n0.285982 0.503428 0.648148 O\n0.993283 0.349449 0.745176 O\n0.996572 0.148148 0.785982 O\n0.506717 0.849449 0.245176 O\n0.754824 0.506717 0.150551 O\n0.003428 0.148148 0.214018 O\n0.150551 0.245176 0.493283 O\n0.745176 0.993283 0.349449 O\n0.349449 0.254824 0.006717 O\n0.285982 0.496572 0.351852 O\n0.503428 0.351852 0.714018 O\n0.351852 0.714018 0.503428 O\n0.006717 0.650551 0.745176 O\n0.496572 0.648148 0.714018 O\n0.493283 0.849449 0.754824 O\n0.254824 0.006717 0.349449 O\n0.503428 0.648148 0.285982 O\n0.493283 0.150551 0.245176 O\n0.745176 0.006717 0.650551 O\n0.245176 0.506717 0.849449 O\n0.851852 0.214018 0.996572 O\n0.003428 0.851852 0.785982 O\n0.214018 0.003428 0.148148 O\n0.351852 0.285982 0.496572 O\n0.245176 0.493283 0.150551 O\n0.714018 0.496572 0.648148 O\n0.496572 0.351852 0.285982 O\n0.214018 0.996572 0.851852 O\n",
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{
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