Ac8Co3N
Alexandria ALEXAlex-ID: agm005997640 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_17_spg12
Ac3Co AcCo AcN
2023-09-12 05:12:42
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005997640).
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 agm005997640
data_agm005997640
_cell_length_a 8.29950
_cell_length_b 8.30689
_cell_length_c 8.31093
_cell_angle_alpha 119.96590
_cell_angle_beta 89.99998
_cell_angle_gamma 119.97059
_cell_volume 405.54746
_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 0.25604 0.51209 0.76760 1.00000
Ac2 Ac 0.74396 0.48791 0.23240 1.00000
Ac3 Ac 0.24376 0.01012 0.77676 1.00000
Ac4 Ac 0.76636 0.01012 0.77676 1.00000
Ac5 Ac 0.76495 0.52989 0.77662 1.00000
Ac6 Ac 0.23505 0.47011 0.22338 1.00000
Ac7 Ac 0.23364 0.98988 0.22324 1.00000
Ac8 Ac 0.75624 0.98988 0.22324 1.00000
Co1 Co 0.50000 0.00000 0.00000 1.00000
Co2 Co 0.50000 0.50000 0.00000 1.00000
Co3 Co 0.00000 0.50000 0.00000 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
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