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{
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{
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{
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{
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"elements": [
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"density": 8.970985566179714,
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"volume": 475.99464600016137,
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"updated_at": "2021-11-28T01:34:35.225000Z",
"spacegroup": 39
},
{
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"structure_string": "Er2 B4 C1\n1.0\n-1.629533 3.279881 3.710646\n1.629533 -3.279881 3.710646\n1.629533 3.279881 -3.710646\nEr B C\n2 4 1\ndirect\n0.233752 0.733752 0.500000 Er\n0.766248 0.266248 0.500000 Er\n0.634366 0.500000 0.134366 B\n0.365634 0.500000 0.865634 B\n0.228224 0.000000 0.228224 B\n0.771776 0.000000 0.771776 B\n0.000000 0.000000 0.000000 C\n",
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"formula_full": "Er2 B4 C1",
"formula_reduced": "Er2B4C",
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"updated_at": "2021-11-28T01:34:24.061000Z",
"spacegroup": 71
},
{
"id": "mp-1036234",
"created_at": "2022-09-04T14:39:32.528047Z",
"structure_string": "Mg14 Mn1 Cu1 O16\n1.0\n8.582141 0.000000 0.000000\n0.000000 8.582141 0.000000\n0.000000 0.000000 4.243009\nMg Mn Cu O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.253763 0.000000 0.500000 Mg\n0.746237 0.000000 0.500000 Mg\n0.251338 0.500000 0.500000 Mg\n0.748662 0.500000 0.500000 Mg\n0.000000 0.253763 0.500000 Mg\n0.500000 0.251338 0.500000 Mg\n0.000000 0.746237 0.500000 Mg\n0.500000 0.748662 0.500000 Mg\n0.253048 0.253048 0.000000 Mg\n0.746952 0.253048 0.000000 Mg\n0.253048 0.746952 0.000000 Mg\n0.746952 0.746952 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Cu\n0.000000 0.252302 0.000000 O\n0.500000 0.242076 0.000000 O\n0.000000 0.747698 0.000000 O\n0.500000 0.757924 0.000000 O\n0.250079 0.250079 0.500000 O\n0.749921 0.250079 0.500000 O\n0.250079 0.749921 0.500000 O\n0.749921 0.749921 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.252302 0.000000 0.000000 O\n0.747698 0.000000 0.000000 O\n0.242076 0.500000 0.000000 O\n0.757924 0.500000 0.000000 O\n",
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"density": 3.797822317388989,
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"volume": 312.51095348078434,
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"formula_full": "Mg14 Mn1 Cu1 O16",
"formula_reduced": "Mg14MnCuO16",
"formula_anonymous": "ABC14D16",
"energy": -205.50468757,
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"updated_at": "2021-11-28T01:34:29.150000Z",
"spacegroup": 123
},
{
"id": "mp-1067482",
"created_at": "2022-09-04T14:39:32.532633Z",
"structure_string": "Ni1 H1 O2\n1.0\n1.426253 2.675885 0.000000\n-1.426253 2.675885 0.000000\n0.000000 1.135468 4.404821\nNi H O\n1 1 2\ndirect\n0.997762 0.997762 0.997543 Ni\n0.508207 0.508207 0.468158 H\n0.598704 0.598704 0.225562 O\n0.395327 0.395327 0.775487 O\n",
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]
}