HoGa(H4Ru)2
Alexandria ALEXAlex-ID: agm007450366 · 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
ABC2D8_1324_spg2
GaH3Ru HoH5Ru
2025-05-27 07:44:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007450366).
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}
}
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# CIF generated by HEAS from Alexandria entry agm007450366
data_agm007450366
_cell_length_a 3.55911
_cell_length_b 4.64072
_cell_length_c 7.35821
_cell_angle_alpha 107.26369
_cell_angle_beta 90.24349
_cell_angle_gamma 113.08695
_cell_volume 105.75276
_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
Ho1 Ho 0.09223 0.12155 0.47245 1.00000
Ga1 Ga 0.88392 0.00026 0.02222 1.00000
H1 H 0.81441 0.54893 0.66069 1.00000
H2 H 0.81893 0.58389 0.26240 1.00000
H3 H 0.37356 0.63540 0.44075 1.00000
H4 H 0.23890 0.36248 0.79108 1.00000
H5 H 0.15869 0.69164 0.01044 1.00000
H6 H 0.54922 0.03179 0.64529 1.00000
H7 H 0.54055 0.02989 0.27769 1.00000
H8 H 0.44826 0.01754 0.87166 1.00000
Ru1 Ru 0.33709 0.61000 0.20998 1.00000
Ru2 Ru 0.74423 0.36662 0.83535 1.00000
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