La5(DyHo6)2
Alexandria ALEXAlex-ID: agm005660116 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_28_spg12
Dy5Ho Dy2Ho7 LaHo2
2023-06-28 17:24:12.288286
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005660116).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
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# CIF generated by HEAS from Alexandria entry agm005660116
data_agm005660116
_cell_length_a 12.36130
_cell_length_b 12.36130
_cell_length_c 8.71215
_cell_angle_alpha 47.60873
_cell_angle_beta 47.60873
_cell_angle_gamma 44.09471
_cell_volume 635.68095
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.28864 0.28864 0.39954 1.00000
La2 La 0.23216 0.23216 0.10681 1.00000
La3 La 0.00000 0.00000 0.50000 1.00000
La4 La 0.76784 0.76784 0.89319 1.00000
La5 La 0.71136 0.71136 0.60046 1.00000
Dy1 Dy 0.67336 0.32664 0.00000 1.00000
Dy2 Dy 0.32664 0.67336 0.00000 1.00000
Ho1 Ho 0.07013 0.07013 0.73679 1.00000
Ho2 Ho 0.03390 0.67636 0.04796 1.00000
Ho3 Ho 0.67636 0.03390 0.04796 1.00000
Ho4 Ho 0.17831 0.56058 0.58714 1.00000
Ho5 Ho 0.56058 0.17831 0.58714 1.00000
Ho6 Ho 0.55390 0.55390 0.23043 1.00000
Ho7 Ho 0.44610 0.44610 0.76957 1.00000
Ho8 Ho 0.82169 0.43942 0.41286 1.00000
Ho9 Ho 0.43942 0.82169 0.41286 1.00000
Ho10 Ho 0.96610 0.32364 0.95204 1.00000
Ho11 Ho 0.32364 0.96610 0.95204 1.00000
Ho12 Ho 0.92987 0.92987 0.26321 1.00000
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