CoH7C2
Alexandria ALEXAlex-ID: agm006201425 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_1010_spg1
H4C Co C
2024-02-01 07:03:33
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201425).
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 agm006201425
data_agm006201425
_cell_length_a 3.99536
_cell_length_b 5.40997
_cell_length_c 16.68542
_cell_angle_alpha 150.40487
_cell_angle_beta 41.29768
_cell_angle_gamma 137.24063
_cell_volume 113.86865
_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
H1 H 0.40921 0.72807 0.20060 1.00000
H2 H 0.37474 0.98736 0.80077 1.00000
H3 H 0.23962 0.31279 0.65804 1.00000
H4 H 0.72343 0.42542 0.32269 1.00000
H5 H 0.44284 0.53267 0.58456 1.00000
H6 H 0.96703 0.91360 0.08020 1.00000
H7 H 0.80582 0.54929 0.73927 1.00000
C1 C 0.21606 0.59563 0.69558 1.00000
C2 C 0.77206 0.02273 0.20115 1.00000
Co1 Co 0.28158 0.98983 0.18531 1.00000
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