Ni2H6OsRu
Alexandria ALEXAlex-ID: agm007620306 · 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
ABC2D6_17_spg2
Ni3H4 Os2Ru NiH4 OsRu2
2024-03-15 22:38:48.828774
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007620306).
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 agm007620306
data_agm007620306
_cell_length_a 4.20573
_cell_length_b 4.54405
_cell_length_c 4.82157
_cell_angle_alpha 79.87109
_cell_angle_beta 119.06391
_cell_angle_gamma 114.34394
_cell_volume 73.34644
_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
Ni1 Ni 0.74149 0.37313 0.11427 1.00000
Ni2 Ni 0.25851 0.62687 0.88573 1.00000
H1 H 0.72586 0.71124 0.21755 1.00000
H2 H 0.05591 0.15298 0.34214 1.00000
H3 H 0.27414 0.28876 0.78245 1.00000
H4 H 0.32725 0.82742 0.30913 1.00000
H5 H 0.94409 0.84702 0.65786 1.00000
H6 H 0.67275 0.17258 0.69087 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.50000 0.50000 0.50000 1.00000
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