Dy2BiSe2
Alexandria ALEXAlex-ID: agm003404124 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1418_spg74
Dy3Se4 DyBi Bi
2022-02-11 22:04:50.930007
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003404124).
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 agm003404124
data_agm003404124
_cell_length_a 7.27285
_cell_length_b 7.27285
_cell_length_c 6.80843
_cell_angle_alpha 110.39016
_cell_angle_beta 110.39016
_cell_angle_gamma 95.57858
_cell_volume 306.46153
_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 0.40405 0.59595 0.25000 1.00000
Dy2 Dy 0.81516 0.18484 0.25000 1.00000
Dy3 Dy 0.18484 0.81516 0.75000 1.00000
Dy4 Dy 0.59595 0.40405 0.75000 1.00000
Bi1 Bi 0.11716 0.88284 0.25000 1.00000
Bi2 Bi 0.88284 0.11716 0.75000 1.00000
Se1 Se 0.77968 0.57987 0.53324 1.00000
Se2 Se 0.42013 0.22032 0.96676 1.00000
Se3 Se 0.57987 0.77968 0.03324 1.00000
Se4 Se 0.22032 0.42013 0.46676 1.00000
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