Dy8BiAu4
Alexandria ALEXAlex-ID: agm098032141 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_2037_spg1
Dy5Bi3 Dy2Au DyAu
2025-06-15 05:22:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098032141).
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 agm098032141
data_agm098032141
_cell_length_a 3.75960
_cell_length_b 10.96425
_cell_length_c 10.76890
_cell_angle_alpha 53.51926
_cell_angle_beta 90.06177
_cell_angle_gamma 90.21254
_cell_volume 356.92324
_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
Dy1 Dy 0.65116 0.28936 0.04496 1.00000
Dy2 Dy 0.15418 0.68052 0.28940 1.00000
Dy3 Dy 0.15319 0.63757 0.73667 1.00000
Dy4 Dy 0.65602 0.00235 0.60550 1.00000
Dy5 Dy 0.65405 0.89027 0.38517 1.00000
Dy6 Dy 0.65127 0.37309 0.36512 1.00000
Dy7 Dy 0.15043 0.29613 0.71994 1.00000
Dy8 Dy 0.65502 0.71367 0.98508 1.00000
Bi1 Bi 0.65738 0.99988 0.03497 1.00000
Au1 Au 0.15689 0.96996 0.82799 1.00000
Au2 Au 0.15246 0.46814 0.09890 1.00000
Au3 Au 0.65276 0.54727 0.56912 1.00000
Au4 Au 0.15519 0.13179 0.33719 1.00000
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