CrCoH6
Alexandria ALEXAlex-ID: agm076296707 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_41_spg38
CoH H2 CrH
2025-06-25 22:43:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076296707).
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 agm076296707
data_agm076296707
_cell_length_a 2.65570
_cell_length_b 4.50125
_cell_length_c 3.99596
_cell_angle_alpha 114.84064
_cell_angle_beta 89.77255
_cell_angle_gamma 90.36984
_cell_volume 43.34711
_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
Cr1 Cr 0.53152 0.23992 0.57083 1.00000
Co1 Co 0.03103 0.66767 0.22056 1.00000
H1 H 0.53081 0.82202 0.51485 1.00000
H2 H 0.53254 0.63736 0.94840 1.00000
H3 H 0.03194 0.03108 0.23910 1.00000
H4 H 0.03312 0.48080 0.50341 1.00000
H5 H 0.02939 0.25473 0.86234 1.00000
H6 H 0.52966 0.11643 0.89051 1.00000
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