AcEr4Bi5
Alexandria ALEXAlex-ID: agm006128200 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_62_spg12
ErBi AcBi
2023-10-11 00:17:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006128200).
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 agm006128200
data_agm006128200
_cell_length_a 4.53796
_cell_length_b 7.84702
_cell_length_c 10.15116
_cell_angle_alpha 75.11828
_cell_angle_beta 77.08418
_cell_angle_gamma 73.19282
_cell_volume 330.04859
_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
Ac1 Ac 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.59404 0.20766 0.60426 1.00000
Er2 Er 0.20289 0.38570 0.20851 1.00000
Er3 Er 0.79711 0.61430 0.79149 1.00000
Er4 Er 0.40596 0.79234 0.39574 1.00000
Bi1 Bi 0.20555 0.90491 0.68400 1.00000
Bi2 Bi 0.79445 0.09509 0.31600 1.00000
Bi3 Bi 0.38863 0.32929 0.89345 1.00000
Bi4 Bi 0.00000 0.50000 0.50000 1.00000
Bi5 Bi 0.61137 0.67071 0.10655 1.00000
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