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{
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{
"id": "mp-973892",
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"structure_string": "Eu1 Al1 O3\n1.0\n3.768155 0.000000 0.000000\n0.000000 3.768155 0.000000\n0.000000 0.000000 3.768155\nEu Al O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Eu\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n",
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{
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"structure_string": "Pu62 Pt40\n1.0\n10.830047 0.000000 -3.133759\n-0.906778 10.792019 -3.133759\n0.000883 0.000960 20.283863\nPu Pt\n62 40\ndirect\n0.166348 0.666348 0.332695 Pu\n0.436893 0.125018 0.424855 Pu\n0.987963 0.299838 0.424855 Pu\n0.563107 0.874982 0.575145 Pu\n0.660058 0.839942 1.000000 Pu\n0.058071 0.356212 0.274082 Pu\n0.356212 0.216011 0.274082 Pu\n0.922239 0.422239 0.844478 Pu\n0.374982 0.063107 0.575145 Pu\n0.849574 0.117798 0.100527 Pu\n0.650426 0.517271 0.899473 Pu\n0.982729 0.849574 0.100527 Pu\n0.799838 0.487963 0.424855 Pu\n0.512037 0.374982 0.575145 Pu\n0.874982 0.012037 0.575145 Pu\n0.558071 0.417869 0.274082 Pu\n0.617798 0.349574 0.100527 Pu\n0.249047 0.382202 0.899473 Pu\n0.941929 0.643788 0.725918 Pu\n0.517271 0.249047 0.899473 Pu\n0.216011 0.917869 0.274082 Pu\n0.716011 0.856212 0.274082 Pu\n0.783989 0.082131 0.725918 Pu\n0.125018 0.987963 0.424855 Pu\n0.012037 0.700162 0.575145 Pu\n0.417869 0.716011 0.274082 Pu\n0.749047 0.017271 0.899473 Pu\n0.487963 0.625018 0.424855 Pu\n0.200162 0.512037 0.575145 Pu\n0.643788 0.783989 0.725918 Pu\n0.856212 0.558071 0.274082 Pu\n0.333652 0.833652 0.667305 Pu\n0.299838 0.436893 0.424855 Pu\n0.482729 0.750953 0.100527 Pu\n0.382202 0.650426 0.899473 Pu\n0.250000 0.750000 0.500000 Pu\n0.441929 0.582131 0.725918 Pu\n0.750953 0.617798 0.100527 Pu\n0.150426 0.882202 0.899473 Pu\n0.422239 0.922239 0.844478 Pu\n0.577761 0.077761 0.155522 Pu\n0.017271 0.150426 0.899473 Pu\n0.582131 0.283989 0.725918 Pu\n0.143788 0.441929 0.725918 Pu\n0.666348 0.166348 0.332695 Pu\n0.917869 0.058071 0.274082 Pu\n0.750000 0.250000 0.500000 Pu\n0.283989 0.143788 0.725918 Pu\n0.117798 0.250953 0.100527 Pu\n0.936893 0.799838 0.424855 Pu\n0.250953 0.982729 0.100527 Pu\n0.882202 0.749047 0.899473 Pu\n0.839942 0.339942 1.000000 Pu\n0.833652 0.333652 0.667305 Pu\n0.349574 0.482729 0.100527 Pu\n0.160058 0.660058 0.000000 Pu\n0.082131 0.941929 0.725918 Pu\n0.077761 0.577761 0.155522 Pu\n0.063107 0.200162 0.575145 Pu\n0.339942 0.160058 0.000000 Pu\n0.625018 0.936893 0.424855 Pu\n0.700162 0.563107 0.575145 Pu\n0.403728 0.903728 0.000000 Pt\n0.392419 0.253986 0.146405 Pt\n0.177147 0.177147 0.354294 Pt\n0.607581 0.746014 0.853595 Pt\n0.967160 0.784395 0.251555 Pt\n0.892419 0.392419 0.146405 Pt\n0.596272 0.096272 1.000000 Pt\n0.467160 0.967160 0.251555 Pt\n0.284395 0.467160 0.251555 Pt\n0.032840 0.215605 0.748445 Pt\n0.677147 0.677147 0.354294 Pt\n0.107581 0.607581 0.853595 Pt\n0.715605 0.532840 0.748445 Pt\n0.322853 0.322853 0.645706 Pt\n0.096272 0.403728 0.000000 Pt\n0.899246 0.899246 0.798492 Pt\n0.753986 0.892419 0.146405 Pt\n0.444512 0.633941 0.578453 Pt\n0.600754 0.600754 0.201508 Pt\n0.253986 0.753986 0.146405 Pt\n0.555488 0.366059 0.421547 Pt\n0.366059 0.866059 0.421547 Pt\n0.399246 0.399246 0.798492 Pt\n0.944512 0.444512 0.578453 Pt\n0.100754 0.100754 0.201508 Pt\n0.246014 0.107581 0.853595 Pt\n0.903728 0.596272 1.000000 Pt\n0.750000 0.750000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.133941 0.944512 0.578453 Pt\n0.746014 0.246014 0.853595 Pt\n0.532840 0.032840 0.748445 Pt\n0.215605 0.715605 0.748445 Pt\n0.784395 0.284395 0.251555 Pt\n0.866059 0.055488 0.421547 Pt\n0.000000 0.000000 0.000000 Pt\n0.633941 0.133941 0.578453 Pt\n0.055488 0.555488 0.421547 Pt\n0.822853 0.822853 0.645706 Pt\n0.250000 0.250000 0.500000 Pt\n",
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"spacegroup": 140
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{
"id": "mp-1187827",
"created_at": "2022-09-04T14:42:59.593109Z",
"structure_string": "Tl2 In6\n1.0\n3.414471 -5.914037 0.000000\n3.414471 5.914037 0.000000\n0.000000 0.000000 5.783429\nTl In\n2 6\ndirect\n0.333333 0.666667 0.750000 Tl\n0.666667 0.333333 0.250000 Tl\n0.163609 0.327218 0.250000 In\n0.672782 0.836391 0.250000 In\n0.163609 0.836391 0.250000 In\n0.836391 0.672782 0.750000 In\n0.327218 0.163609 0.750000 In\n0.836391 0.163609 0.750000 In\n",
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"formula_full": "Tl2 In6",
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{
"id": "mp-1217815",
"created_at": "2022-09-04T14:42:47.997662Z",
"structure_string": "Ta1 Ti1 Te4\n1.0\n-1.870667 -3.236220 -0.000956\n-3.737982 -0.001935 -0.000956\n-0.003506 -0.002024 -14.132779\nTa Ti Te\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.000000 0.000000 0.500000 Ti\n0.666763 0.666763 0.128086 Te\n0.666662 0.666662 0.622899 Te\n0.333338 0.333338 0.377101 Te\n0.333237 0.333237 0.871914 Te\n",
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{
"id": "mp-1105483",
"created_at": "2022-09-04T14:42:48.007566Z",
"structure_string": "Ce6 Sn12 Ru2\n1.0\n2.378327 -8.274311 0.000000\n2.378327 8.274311 0.000000\n0.000000 0.000000 13.316563\nCe Sn Ru\n6 12 2\ndirect\n0.602288 0.397712 0.250000 Ce\n0.397712 0.602288 0.750000 Ce\n0.398994 0.601006 0.405584 Ce\n0.601006 0.398994 0.594416 Ce\n0.398994 0.601006 0.094416 Ce\n0.601006 0.398994 0.905584 Ce\n0.926118 0.073882 0.924255 Sn\n0.073882 0.926118 0.075745 Sn\n0.926118 0.073882 0.575745 Sn\n0.073882 0.926118 0.424255 Sn\n0.960078 0.039922 0.250000 Sn\n0.039922 0.960078 0.750000 Sn\n0.744107 0.255894 0.433974 Sn\n0.255894 0.744106 0.566026 Sn\n0.744107 0.255894 0.066026 Sn\n0.255894 0.744106 0.933974 Sn\n0.232359 0.767641 0.250000 Sn\n0.767641 0.232359 0.750000 Sn\n0.801539 0.198461 0.250000 Ru\n0.198461 0.801539 0.750000 Ru\n",
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{
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"structure_string": "Cs2 Mg12 W2\n1.0\n4.197860 0.000000 0.000000\n0.000000 9.816965 0.000000\n0.000000 0.000000 9.895272\nCs Mg W\n2 12 2\ndirect\n0.500000 0.376704 0.500000 Cs\n0.500000 0.876704 0.000000 Cs\n0.500000 0.119929 0.255614 Mg\n0.500000 0.119929 0.744386 Mg\n0.000000 0.874888 0.297179 Mg\n0.000000 0.874888 0.702821 Mg\n0.000000 0.078907 0.500000 Mg\n0.000000 0.674605 0.500000 Mg\n0.500000 0.619929 0.755614 Mg\n0.500000 0.619929 0.244386 Mg\n0.000000 0.374888 0.797179 Mg\n0.000000 0.374888 0.202821 Mg\n0.000000 0.578907 0.000000 Mg\n0.000000 0.174605 0.000000 Mg\n0.500000 0.880152 0.500000 W\n0.500000 0.380152 0.000000 W\n",
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{
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"structure_string": "Y2 Mg2\n1.0\n3.763643 0.000000 0.000000\n0.000000 5.391300 0.000000\n0.000000 0.000000 5.411974\nY Mg\n2 2\ndirect\n0.500000 0.250000 0.258122 Y\n0.500000 0.750000 0.741878 Y\n0.000000 0.750000 0.238678 Mg\n0.000000 0.250000 0.761322 Mg\n",
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{
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"structure_string": "Cd14 Si2 N12\n1.0\n5.122438 2.976034 -0.000001\n-5.122438 2.976034 0.000001\n0.000000 0.000000 13.531874\nCd Si N\n14 2 12\ndirect\n0.747489 0.747489 0.965550 Cd\n0.252511 0.252511 0.465550 Cd\n0.252511 0.252511 0.034450 Cd\n0.747489 0.747489 0.534450 Cd\n0.980282 0.417910 0.621068 Cd\n0.019718 0.582090 0.121068 Cd\n0.582090 0.019718 0.378932 Cd\n0.417910 0.980282 0.878932 Cd\n0.019718 0.582090 0.378932 Cd\n0.980282 0.417910 0.878932 Cd\n0.417910 0.980282 0.621068 Cd\n0.582090 0.019718 0.121068 Cd\n0.407834 0.407834 0.750000 Cd\n0.592166 0.592166 0.250000 Cd\n0.892817 0.892817 0.750000 Si\n0.107183 0.107183 0.250000 Si\n0.851160 0.573442 0.750000 N\n0.148840 0.426558 0.250000 N\n0.426558 0.148840 0.250000 N\n0.573442 0.851160 0.750000 N\n0.669086 0.330914 0.500000 N\n0.330914 0.669086 0.000000 N\n0.330914 0.669086 0.500000 N\n0.669086 0.330914 0.000000 N\n0.068775 0.068776 0.642861 N\n0.931224 0.931225 0.142861 N\n0.931225 0.931224 0.357139 N\n0.068776 0.068775 0.857139 N\n",
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{
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"structure_string": "Fe4 P4\n1.0\n3.052590 0.000000 0.000000\n0.000000 5.148002 0.000000\n0.000000 0.000000 5.759138\nFe P\n4 4\ndirect\n0.250000 0.501131 0.701581 Fe\n0.750000 0.498869 0.298419 Fe\n0.750000 0.998869 0.201581 Fe\n0.250000 0.001131 0.798419 Fe\n0.250000 0.690847 0.067177 P\n0.750000 0.309153 0.932823 P\n0.750000 0.809153 0.567177 P\n0.250000 0.190847 0.432823 P\n",
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{
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"created_at": "2022-09-04T14:42:48.015179Z",
"structure_string": "Li2 Mn2 O14\n1.0\n3.807262 -6.594372 0.000000\n3.807262 6.594372 0.000000\n0.000000 0.000000 5.470669\nLi Mn O\n2 2 14\ndirect\n0.000000 0.000000 0.990109 Li\n0.000000 0.000000 0.490109 Li\n0.333333 0.666667 0.257456 Mn\n0.666667 0.333333 0.757456 Mn\n0.449140 0.550860 0.159316 O\n0.449140 0.898280 0.159316 O\n0.550860 0.449140 0.659316 O\n0.101720 0.550860 0.159316 O\n0.550860 0.101720 0.659316 O\n0.898280 0.449140 0.659316 O\n0.333333 0.666667 0.553062 O\n0.666667 0.333333 0.053062 O\n0.895536 0.104464 0.240575 O\n0.895536 0.791072 0.240575 O\n0.104464 0.895536 0.740575 O\n0.208928 0.104464 0.240575 O\n0.104464 0.208928 0.740575 O\n0.791072 0.895536 0.740575 O\n",
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},
{
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"structure_string": "La1 B4 Rh7\n1.0\n0.000000 0.000000 -2.916881\n-2.807202 -4.862216 0.000000\n-8.376065 4.835923 0.000000\nLa B Rh\n1 4 7\ndirect\n0.000000 0.999971 0.000000 La\n0.000000 0.999104 0.332978 B\n0.000000 0.500421 0.832046 B\n0.000000 0.500421 0.167954 B\n0.000000 0.999104 0.667022 B\n0.500000 0.005806 0.500000 Rh\n0.500000 0.500609 0.000000 Rh\n0.500000 0.257073 0.259377 Rh\n0.500000 0.740296 0.738018 Rh\n0.500000 0.740296 0.261982 Rh\n0.500000 0.257073 0.740623 Rh\n0.000000 0.499626 0.500000 Rh\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "B-La-Rh",
"density": 9.46147358981587,
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"formula_full": "La1 B4 Rh7",
"formula_reduced": "LaB4Rh7",
"formula_anonymous": "AB4C7",
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{
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"structure_string": "Mg1 Pd5\n1.0\n2.433032 -4.214135 0.000000\n2.433032 4.214135 0.000000\n0.000000 0.000000 4.582962\nMg Pd\n1 5\ndirect\n0.000000 0.000000 0.500000 Mg\n0.664572 0.000000 0.000000 Pd\n0.666667 0.333333 0.500000 Pd\n0.335428 0.335428 0.000000 Pd\n0.000000 0.664572 0.000000 Pd\n0.333333 0.666667 0.500000 Pd\n",
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"formula_full": "Mg1 Pd5",
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}
]
}