LaDy3Bi4
Alexandria ALEXAlex-ID: agm047744166 · 空间群: P2/c (#13)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4_1270_spg13
DyBi LaBi
2025-02-24 19:30:10
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047744166).
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}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm047744166
data_agm047744166
_cell_length_a 7.85649
_cell_length_b 9.09074
_cell_length_c 7.85104
_cell_angle_alpha 90.00000
_cell_angle_beta 109.51007
_cell_angle_gamma 90.00000
_cell_volume 528.53528
_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 0.75000 0.12658 0.50000 1.00000
La2 La 0.25000 0.87342 0.50000 1.00000
Dy1 Dy 0.75000 0.62406 0.50000 1.00000
Dy2 Dy 0.25000 0.37594 0.50000 1.00000
Dy3 Dy 0.75000 0.37567 0.00000 1.00000
Dy4 Dy 0.75000 0.87360 0.00000 1.00000
Dy5 Dy 0.25000 0.62433 0.00000 1.00000
Dy6 Dy 0.25000 0.12640 0.00000 1.00000
Bi1 Bi 0.49538 0.37996 0.24594 1.00000
Bi2 Bi 0.00045 0.12949 0.24125 1.00000
Bi3 Bi 0.99538 0.62004 0.24594 1.00000
Bi4 Bi 0.50045 0.87051 0.24125 1.00000
Bi5 Bi 0.49955 0.12949 0.75875 1.00000
Bi6 Bi 0.00462 0.37996 0.75406 1.00000
Bi7 Bi 0.99955 0.87051 0.75875 1.00000
Bi8 Bi 0.50462 0.62004 0.75406 1.00000
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