HoH7(PtRh)2
Alexandria ALEXAlex-ID: agm006458048 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_360_spg44
HoH6Rh HoHPt3 HoPt3 H8Rh3
2024-02-29 08:22:15.919608
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006458048).
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 agm006458048
data_agm006458048
_cell_length_a 7.53163
_cell_length_b 7.53163
_cell_length_c 7.53163
_cell_angle_alpha 151.16656
_cell_angle_beta 147.45590
_cell_angle_gamma 44.02777
_cell_volume 110.52691
_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 0.49291 0.50000 0.99291 1.00000
H1 H 0.63850 0.12080 0.51770 1.00000
H2 H 0.75206 0.74065 0.01141 1.00000
H3 H 0.85399 0.38869 0.46530 1.00000
H4 H 0.39690 0.87920 0.51770 1.00000
H5 H 0.27077 0.25935 0.01141 1.00000
H6 H 0.07660 0.61131 0.46530 1.00000
H7 H 0.18681 0.00000 0.18681 1.00000
Pt1 Pt 0.05424 0.10230 0.95193 1.00000
Pt2 Pt 0.84963 0.89770 0.95193 1.00000
Rh1 Rh 0.70666 0.24270 0.46395 1.00000
Rh2 Rh 0.22125 0.75730 0.46395 1.00000
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