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{
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{
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{
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{
"id": "mp-568779",
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{
"id": "mp-560501",
"created_at": "2022-09-04T14:41:55.916114Z",
"structure_string": "Tb6 Cu2 Si2 S14\n1.0\n4.972459 -8.612552 0.000000\n4.972459 8.612552 0.000000\n0.000000 0.000000 5.705541\nTb Cu Si S\n6 2 2 14\ndirect\n0.874737 0.643646 0.248125 Tb\n0.356354 0.231091 0.248125 Tb\n0.231091 0.874737 0.748125 Tb\n0.125263 0.356354 0.748125 Tb\n0.643646 0.768909 0.748125 Tb\n0.768909 0.125263 0.248125 Tb\n0.000000 0.000000 0.200502 Cu\n0.000000 0.000000 0.700502 Cu\n0.333333 0.666667 0.336673 Si\n0.666667 0.333333 0.836673 Si\n0.666667 0.333333 0.466744 S\n0.892062 0.413961 0.986575 S\n0.908727 0.743247 0.723423 S\n0.521899 0.107938 0.986575 S\n0.478101 0.892062 0.486575 S\n0.743247 0.834520 0.223423 S\n0.107938 0.586039 0.486575 S\n0.586039 0.478101 0.986575 S\n0.165480 0.908727 0.223423 S\n0.834520 0.091273 0.723423 S\n0.091273 0.256753 0.223423 S\n0.333333 0.666667 0.966744 S\n0.413961 0.521899 0.486575 S\n0.256753 0.165480 0.723423 S\n",
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"spacegroup": 173
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{
"id": "mp-3179",
"created_at": "2022-09-04T14:45:34.943144Z",
"structure_string": "Tb3 Cu4 Si4\n1.0\n-2.079415 3.279033 6.884179\n2.079415 -3.279033 6.884179\n2.079415 3.279033 -6.884179\nTb Cu Si\n3 4 4\ndirect\n0.870026 0.870026 0.000000 Tb\n0.129974 0.129974 0.000000 Tb\n0.500000 0.000000 0.500000 Tb\n0.522076 0.331969 0.190107 Cu\n0.858139 0.668031 0.190107 Cu\n0.141861 0.331969 0.809893 Cu\n0.477924 0.668031 0.809893 Cu\n0.815897 0.500000 0.315897 Si\n0.184103 0.500000 0.684103 Si\n0.284091 0.784091 0.500000 Si\n0.715909 0.215909 0.500000 Si\n",
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{
"id": "mp-1217751",
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"structure_string": "Tb12 Cu4 Se24\n1.0\n7.779848 0.000000 0.000000\n0.000000 7.114671 0.000000\n0.000000 0.117984 17.110338\nTb Cu Se\n12 4 24\ndirect\n0.939570 0.265655 0.750390 Tb\n0.060430 0.734345 0.249610 Tb\n0.560430 0.265655 0.250390 Tb\n0.439570 0.734345 0.749610 Tb\n0.558023 0.238834 0.588020 Tb\n0.441796 0.768180 0.091115 Tb\n0.941796 0.231820 0.408885 Tb\n0.058023 0.761166 0.911980 Tb\n0.441977 0.761166 0.411980 Tb\n0.558204 0.231820 0.908885 Tb\n0.058204 0.768180 0.591115 Tb\n0.941977 0.238834 0.088020 Tb\n0.210978 0.393725 0.526886 Cu\n0.710978 0.606275 0.973114 Cu\n0.789022 0.606275 0.473114 Cu\n0.289022 0.393725 0.026886 Cu\n0.908893 0.390431 0.581635 Se\n0.092131 0.617527 0.081213 Se\n0.592131 0.382473 0.418787 Se\n0.408893 0.609569 0.918365 Se\n0.091107 0.609569 0.418365 Se\n0.907869 0.382473 0.918787 Se\n0.407869 0.617527 0.581213 Se\n0.591107 0.390431 0.081635 Se\n0.596748 0.381175 0.748925 Se\n0.403252 0.618825 0.251075 Se\n0.903252 0.381175 0.248925 Se\n0.096748 0.618825 0.751075 Se\n0.250004 0.078231 0.679057 Se\n0.750596 0.925067 0.177366 Se\n0.250596 0.074933 0.322634 Se\n0.750004 0.921769 0.820943 Se\n0.749996 0.921769 0.320943 Se\n0.249404 0.074933 0.822634 Se\n0.749404 0.925067 0.677366 Se\n0.249996 0.078231 0.179057 Se\n0.250745 0.063890 0.499269 Se\n0.750745 0.936110 0.000731 Se\n0.749255 0.936110 0.500731 Se\n0.249255 0.063890 0.999269 Se\n",
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{
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{
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"elements": [
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],
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"density": 8.626508377962894,
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"volume": 196.6350551137761,
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"formula_full": "Tb3 Cu4 Ge4",
"formula_reduced": "Tb3(CuGe)4",
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:13.734000Z",
"spacegroup": 71
},
{
"id": "mp-1188547",
"created_at": "2022-09-04T14:45:27.342733Z",
"structure_string": "Tb6 Cu6 Sb8\n1.0\n-4.804821 4.804821 4.804821\n4.804821 -4.804821 4.804821\n4.804821 4.804821 -4.804821\nTb Cu Sb\n6 6 8\ndirect\n0.875000 0.250000 0.125000 Tb\n0.625000 0.750000 0.375000 Tb\n0.250000 0.125000 0.875000 Tb\n0.750000 0.375000 0.625000 Tb\n0.125000 0.875000 0.250000 Tb\n0.375000 0.625000 0.750000 Tb\n0.375000 0.250000 0.625000 Cu\n0.125000 0.750000 0.875000 Cu\n0.250000 0.625000 0.375000 Cu\n0.750000 0.875000 0.125000 Cu\n0.625000 0.375000 0.250000 Cu\n0.875000 0.125000 0.750000 Cu\n0.660072 0.500000 0.000000 Sb\n0.500000 0.000000 0.660072 Sb\n0.000000 0.660072 0.500000 Sb\n0.839928 0.839928 0.839928 Sb\n0.500000 0.000000 0.160072 Sb\n0.160072 0.500000 0.000000 Sb\n0.000000 0.160072 0.500000 Sb\n0.339928 0.339928 0.339928 Sb\n",
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"formula_full": "Tb6 Cu6 Sb8",
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"updated_at": "2021-11-28T01:37:07.003000Z",
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},
{
"id": "mp-1209278",
"created_at": "2022-09-04T14:48:19.894593Z",
"structure_string": "Tb6 Cu40 Sb22\n1.0\n0.000000 8.459404 8.459404\n8.459404 0.000000 8.459404\n8.459404 8.459404 0.000000\nTb Cu Sb\n6 40 22\ndirect\n0.489524 0.010476 0.010476 Tb\n0.010476 0.489524 0.489524 Tb\n0.010476 0.489524 0.010476 Tb\n0.489524 0.010476 0.489524 Tb\n0.010476 0.010476 0.489524 Tb\n0.489524 0.489524 0.010476 Tb\n0.996920 0.996920 0.231973 Cu\n0.996920 0.996920 0.774187 Cu\n0.231973 0.774187 0.996920 Cu\n0.231973 0.996920 0.996920 Cu\n0.774187 0.231973 0.996920 Cu\n0.774187 0.996920 0.996920 Cu\n0.996920 0.231973 0.774187 Cu\n0.996920 0.774187 0.231973 Cu\n0.996920 0.231973 0.996920 Cu\n0.774187 0.996920 0.231973 Cu\n0.231973 0.996920 0.774187 Cu\n0.996920 0.774187 0.996920 Cu\n0.251571 0.251571 0.865448 Cu\n0.251571 0.251571 0.631411 Cu\n0.865448 0.631411 0.251571 Cu\n0.865448 0.251571 0.251571 Cu\n0.631411 0.865448 0.251571 Cu\n0.631411 0.251571 0.251571 Cu\n0.251571 0.865448 0.631411 Cu\n0.251571 0.631411 0.865448 Cu\n0.251571 0.865448 0.251571 Cu\n0.631411 0.251571 0.865448 Cu\n0.865448 0.251571 0.631411 Cu\n0.251571 0.631411 0.251571 Cu\n0.698599 0.698599 0.698599 Cu\n0.698599 0.698599 0.904204 Cu\n0.698599 0.904204 0.698599 Cu\n0.904204 0.698599 0.698599 Cu\n0.504789 0.504789 0.723980 Cu\n0.504789 0.504789 0.266441 Cu\n0.723980 0.266441 0.504789 Cu\n0.723980 0.504789 0.504789 Cu\n0.266441 0.723980 0.504789 Cu\n0.266441 0.504789 0.504789 Cu\n0.504789 0.723980 0.266441 Cu\n0.504789 0.266441 0.723980 Cu\n0.504789 0.723980 0.504789 Cu\n0.266441 0.504789 0.723980 Cu\n0.723980 0.504789 0.266441 Cu\n0.504789 0.266441 0.504789 Cu\n0.751276 0.751276 0.436033 Sb\n0.751276 0.751276 0.061415 Sb\n0.436033 0.061415 0.751276 Sb\n0.436033 0.751276 0.751276 Sb\n0.061415 0.436033 0.751276 Sb\n0.061415 0.751276 0.751276 Sb\n0.751276 0.436033 0.061415 Sb\n0.751276 0.061415 0.436033 Sb\n0.751276 0.436033 0.751276 Sb\n0.061415 0.751276 0.436033 Sb\n0.436033 0.751276 0.061415 Sb\n0.751276 0.061415 0.751276 Sb\n0.353368 0.353368 0.353368 Sb\n0.353368 0.353368 0.939896 Sb\n0.353368 0.939896 0.353368 Sb\n0.939896 0.353368 0.353368 Sb\n0.500000 0.500000 0.500000 Sb\n0.147919 0.147919 0.147919 Sb\n0.147919 0.147919 0.556244 Sb\n0.147919 0.556244 0.147919 Sb\n0.556244 0.147919 0.147919 Sb\n0.000000 0.000000 0.000000 Sb\n",
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"elements": [
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],
"chemical_system": "Cu-Sb-Tb",
"density": 8.467872562024887,
"density_atomic": 0.056164205305305845,
"volume": 1210.7355499887403,
"volume_molar": 10.722382213482664,
"formula_full": "Tb6 Cu40 Sb22",
"formula_reduced": "Tb3Cu20Sb11",
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"energy": -298.78017371,
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"updated_at": "2021-11-28T01:38:49.172000Z",
"spacegroup": 216
}
]
}