La4BiPbSe2
Alexandria ALEXAlex-ID: agm004859645 · 空间群: P2/m (#10)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_343_spg10
LaSe LaPb2 La5Pb3Se LaBi
2022-07-20 10:52:53.962863
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004859645).
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 agm004859645
data_agm004859645
_cell_length_a 4.53777
_cell_length_b 7.75892
_cell_length_c 7.86594
_cell_angle_alpha 70.29914
_cell_angle_beta 89.99972
_cell_angle_gamma 89.99968
_cell_volume 260.73503
_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 0.00000 0.76295 0.74308 1.00000
La2 La 1.00000 0.23706 0.25692 1.00000
La3 La 0.50000 0.76186 0.24802 1.00000
La4 La 0.50000 0.23814 0.75198 1.00000
Bi1 Bi 0.50000 0.50000 1.00000 1.00000
Pb1 Pb 0.00000 0.49999 0.50000 1.00000
Se1 Se 0.00000 0.00000 1.00000 1.00000
Se2 Se 0.50000 0.00000 0.50000 1.00000
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