Er(NiB)2
Alexandria ALEXAlex-ID: agm002199567 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_14_spg70
Er(NiB)2
2018-07-09 06:43:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002199567).
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 agm002199567
data_agm002199567
_cell_length_a 5.36963
_cell_length_b 5.36958
_cell_length_c 5.49476
_cell_angle_alpha 106.96455
_cell_angle_beta 106.96430
_cell_angle_gamma 113.78511
_cell_volume 122.55506
_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
Ni1 Ni 0.61918 0.11898 0.23794 1.00000
Ni2 Ni 0.88102 0.38082 0.76205 1.00000
Ni3 Ni 0.36898 0.36918 0.73795 1.00000
Ni4 Ni 0.63082 0.63103 0.26206 1.00000
B1 B 0.93306 0.06695 0.50000 1.00000
B2 B 0.56697 0.43304 0.50000 1.00000
B3 B 0.68303 0.31697 0.00000 1.00000
B4 B 0.31694 0.68305 0.00000 1.00000
Er1 Er 0.24992 0.75008 0.50000 1.00000
Er2 Er 0.00008 0.99992 0.99999 1.00000
