Co3H9C2
Alexandria ALEXAlex-ID: agm006193752 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_517_spg2
Co2H H4C Co
2024-02-01 18:43:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006193752).
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 agm006193752
data_agm006193752
_cell_length_a 3.21545
_cell_length_b 8.15545
_cell_length_c 10.44633
_cell_angle_alpha 31.59518
_cell_angle_beta 89.17103
_cell_angle_gamma 100.21094
_cell_volume 133.77693
_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
C1 C 0.34764 0.71490 0.78347 1.00000
C2 C 0.65236 0.28510 0.21653 1.00000
Co1 Co 0.33763 0.67824 0.34063 1.00000
Co2 Co 0.00000 0.00000 0.00000 1.00000
Co3 Co 0.66237 0.32176 0.65937 1.00000
H1 H 0.83674 0.36700 0.25147 1.00000
H2 H 0.69799 0.06186 0.32414 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.30201 0.93814 0.67586 1.00000
H5 H 0.69807 0.80535 0.69295 1.00000
H6 H 0.30193 0.19465 0.30705 1.00000
H7 H 0.16326 0.63300 0.74853 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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