CeCo
Alexandria ALEXAlex-ID: agm010191397 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_2038_spg62
CeCo
2025-07-01 18:30:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010191397).
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 agm010191397
data_agm010191397
_cell_length_a 3.69380
_cell_length_b 3.69380
_cell_length_c 11.48352
_cell_angle_alpha 80.77619
_cell_angle_beta 99.22381
_cell_angle_gamma 90.12874
_cell_volume 152.61281
_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
Ce1 Ce 0.68281 0.06678 0.36628 1.00000
Ce2 Ce 0.93322 0.31719 0.86628 1.00000
Ce3 Ce 0.31719 0.93322 0.63372 1.00000
Ce4 Ce 0.06678 0.68281 0.13372 1.00000
Co1 Co 0.54567 0.20393 0.09179 1.00000
Co2 Co 0.79607 0.45433 0.59179 1.00000
Co3 Co 0.45433 0.79607 0.90821 1.00000
Co4 Co 0.20393 0.54567 0.40821 1.00000
