Mo2H7Rh
Alexandria ALEXAlex-ID: agm006205347 · 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
AB2C7_930_spg1
MoH2Rh Mo2H3 H2
2024-02-01 10:57:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205347).
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 agm006205347
data_agm006205347
_cell_length_a 5.19795
_cell_length_b 5.22461
_cell_length_c 4.17516
_cell_angle_alpha 118.39874
_cell_angle_beta 62.01760
_cell_angle_gamma 130.83141
_cell_volume 73.30412
_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
H1 H 0.14390 0.79172 0.17252 1.00000
H2 H 0.93327 0.98778 0.83564 1.00000
H3 H 0.43747 0.52690 0.85263 1.00000
H4 H 0.91620 0.01104 0.38159 1.00000
H5 H 0.43900 0.54724 0.39043 1.00000
H6 H 0.67690 0.31912 0.17519 1.00000
H7 H 0.76110 0.38247 0.63546 1.00000
Mo1 Mo 0.31779 0.14876 0.97103 1.00000
Mo2 Mo 0.54783 0.92736 0.27559 1.00000
Rh1 Rh 0.05893 0.41502 0.77809 1.00000
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