NbCo2B
Alexandria ALEXAlex-ID: agm003635546 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_53_spg59
NbCo2B
2022-04-14 04:19:57.883266
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003635546).
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 agm003635546
data_agm003635546
_cell_length_a 3.59279
_cell_length_b 4.81101
_cell_length_c 5.18127
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 89.55804
_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
Nb1 Nb 0.00000 0.00000 0.39501 1.00000
Nb2 Nb 0.50000 0.50000 0.60499 1.00000
Co1 Co 0.00000 0.23716 0.85323 1.00000
Co2 Co 0.00000 0.76284 0.85323 1.00000
Co3 Co 0.50000 0.26284 0.14677 1.00000
Co4 Co 0.50000 0.73716 0.14677 1.00000
B1 B 0.00000 0.50000 0.19764 1.00000
B2 B 0.50000 0.00000 0.80236 1.00000
