Co2NiH6Os
Alexandria ALEXAlex-ID: agm007249850 · 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
ABC2D6_391_spg1
NiH4 Os CoH
2024-03-26 05:14:49.701105
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007249850).
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
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# CIF generated by HEAS from Alexandria entry agm007249850
data_agm007249850
_cell_length_a 4.14146
_cell_length_b 4.65008
_cell_length_c 4.70583
_cell_angle_alpha 88.20794
_cell_angle_beta 116.77406
_cell_angle_gamma 115.45858
_cell_volume 71.55557
_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
Co1 Co 0.03734 0.81731 0.51755 1.00000
Co2 Co 0.52652 0.01516 0.30641 1.00000
Ni1 Ni 0.77578 0.91758 0.91015 1.00000
H1 H 0.29704 0.60812 0.74446 1.00000
H2 H 0.54755 0.67275 0.20772 1.00000
H3 H 0.98870 0.57893 0.16218 1.00000
H4 H 0.52552 0.15060 0.65136 1.00000
H5 H 0.01302 0.15079 0.61760 1.00000
H6 H 0.25826 0.21817 0.07867 1.00000
Os1 Os 0.28319 0.41643 0.41241 1.00000
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