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{
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{
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{
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{
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{
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"structure_string": "P8 Se20\n1.0\n22.238692 0.000000 0.000000\n0.000000 6.185495 0.000000\n0.000000 2.987515 6.550442\nP Se\n8 20\ndirect\n0.663743 0.678262 0.277862 P\n0.163743 0.821738 0.722138 P\n0.336257 0.321738 0.722138 P\n0.836257 0.178262 0.277862 P\n0.551619 0.305665 0.282184 P\n0.051619 0.194335 0.717816 P\n0.448381 0.694335 0.717816 P\n0.948381 0.805665 0.282184 P\n0.686045 0.341343 0.557122 Se\n0.186045 0.158657 0.442878 Se\n0.313955 0.658657 0.442878 Se\n0.813955 0.841343 0.557122 Se\n0.604041 0.077347 0.564867 Se\n0.104041 0.422653 0.435133 Se\n0.395959 0.922653 0.435133 Se\n0.895959 0.577347 0.564867 Se\n0.604372 0.341364 0.002229 Se\n0.104372 0.158636 0.997771 Se\n0.395628 0.658636 0.997771 Se\n0.895628 0.841364 0.002229 Se\n0.685561 0.606003 0.001688 Se\n0.185561 0.893997 0.998312 Se\n0.314439 0.393997 0.998312 Se\n0.814439 0.106003 0.001688 Se\n0.561304 0.674548 0.277303 Se\n0.061304 0.825452 0.722697 Se\n0.438696 0.325452 0.722697 Se\n0.938696 0.174548 0.277303 Se\n",
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{
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{
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{
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"formula_full": "B20 H44",
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"updated_at": "2021-11-28T01:36:54.729000Z",
"spacegroup": 14
},
{
"id": "mp-866076",
"created_at": "2022-09-04T14:45:37.787221Z",
"structure_string": "Nd2 Au6\n1.0\n3.249842 -5.628891 0.000000\n3.249842 5.628891 0.000000\n0.000000 0.000000 4.860733\nNd Au\n2 6\ndirect\n0.666667 0.333333 0.250000 Nd\n0.333333 0.666667 0.750000 Nd\n0.844043 0.155957 0.750000 Au\n0.311914 0.155957 0.750000 Au\n0.844043 0.688086 0.750000 Au\n0.155957 0.844043 0.250000 Au\n0.688086 0.844043 0.250000 Au\n0.155957 0.311914 0.250000 Au\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Au"
],
"chemical_system": "Au-Nd",
"density": 13.728823065557167,
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"volume": 177.83483961171856,
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"formula_full": "Nd2 Au6",
"formula_reduced": "NdAu3",
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"updated_at": "2021-11-28T01:37:03.359000Z",
"spacegroup": 194
}
]
}