UCr(CoH4)2
Alexandria ALEXAlex-ID: agm007303012 · 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
ABC2D8_1109_spg1
U(CoH3)2 CrH H2
2024-03-26 08:17:41.665992
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007303012).
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 agm007303012
data_agm007303012
_cell_length_a 4.07563
_cell_length_b 6.26932
_cell_length_c 4.70439
_cell_angle_alpha 50.51203
_cell_angle_beta 64.20483
_cell_angle_gamma 68.01777
_cell_volume 82.69644
_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
U1 U 0.00000 0.50000 0.50000 1.00000
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.67458 0.14315 0.49132 1.00000
Co2 Co 0.32542 0.85685 0.50868 1.00000
H1 H 0.91269 0.84664 0.81036 1.00000
H2 H 0.55198 0.14815 0.20302 1.00000
H3 H 0.40360 0.79706 0.21118 1.00000
H4 H 0.08731 0.15336 0.18964 1.00000
H5 H 0.44802 0.85185 0.79698 1.00000
H6 H 0.59640 0.20294 0.78882 1.00000
H7 H 0.65611 0.46663 0.21113 1.00000
H8 H 0.34389 0.53337 0.78887 1.00000
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