RbCoN
Alexandria ALEXAlex-ID: agm005678539 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_996_spg64
Rb Co RbN3
2023-06-18 01:12:05.845118
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678539).
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 agm005678539
data_agm005678539
_cell_length_a 6.07480
_cell_length_b 6.07545
_cell_length_c 10.10292
_cell_angle_alpha 90.00000
_cell_angle_beta 107.29246
_cell_angle_gamma 90.00000
_cell_volume 356.01640
_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
Rb1 Rb 0.88128 0.00006 0.25985 1.00000
Rb2 Rb 0.61872 0.50006 0.74015 1.00000
Rb3 Rb 0.11872 0.99994 0.74015 1.00000
Rb4 Rb 0.38128 0.49994 0.25985 1.00000
Co1 Co 0.63236 0.86765 0.49999 1.00000
Co2 Co 0.86764 0.36765 0.50001 1.00000
Co3 Co 0.36764 0.13235 0.50001 1.00000
Co4 Co 0.13236 0.63235 0.49999 1.00000
N1 N 0.83688 0.66314 0.50000 1.00000
N2 N 0.66312 0.16314 0.50000 1.00000
N3 N 0.16312 0.33686 0.50000 1.00000
N4 N 0.33688 0.83686 0.50000 1.00000
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