CaNd2Bi3
Alexandria ALEXAlex-ID: agm003431925 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_873_spg71
Ca11Bi10 NdBi CaBi2
2022-02-12 16:25:54.030364
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003431925).
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 agm003431925
data_agm003431925
_cell_length_a 4.54859
_cell_length_b 6.53507
_cell_length_c 8.07454
_cell_angle_alpha 113.87053
_cell_angle_beta 106.35947
_cell_angle_gamma 90.00000
_cell_volume 208.81715
_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
Ca1 Ca 0.00000 0.50000 0.00000 1.00000
Nd1 Nd 0.66598 0.16598 0.33197 1.00000
Nd2 Nd 0.33402 0.83402 0.66803 1.00000
Bi1 Bi 0.33037 0.33037 0.66073 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Bi3 Bi 0.66963 0.66963 0.33927 1.00000
获取直接链接