HoNb(H3Au)2
Alexandria ALEXAlex-ID: agm007724145 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D6_567_spg15
HoH11 HoH3 HoAu4 NbH2
2025-05-27 04:00:04
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007724145).
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 agm007724145
data_agm007724145
_cell_length_a 5.98252
_cell_length_b 5.98252
_cell_length_c 5.79375
_cell_angle_alpha 81.63937
_cell_angle_beta 98.36063
_cell_angle_gamma 80.18213
_cell_volume 199.04883
_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 0.18688 0.18688 0.75000 1.00000
Ho2 Ho 0.81312 0.81312 0.25000 1.00000
Nb1 Nb 0.59079 0.59079 0.75000 1.00000
Nb2 Nb 0.40921 0.40921 0.25000 1.00000
H1 H 0.54717 0.87732 0.87938 1.00000
H2 H 0.87732 0.54717 0.62062 1.00000
H3 H 0.45283 0.12268 0.12062 1.00000
H4 H 0.12268 0.45283 0.37938 1.00000
H5 H 0.78957 0.26745 0.85214 1.00000
H6 H 0.26745 0.78957 0.64786 1.00000
H7 H 0.21043 0.73255 0.14786 1.00000
H8 H 0.73255 0.21043 0.35214 1.00000
H9 H 0.39718 0.41507 0.58436 1.00000
H10 H 0.41507 0.39718 0.91564 1.00000
H11 H 0.60282 0.58493 0.41564 1.00000
H12 H 0.58493 0.60282 0.08436 1.00000
Au1 Au 0.93790 0.30282 0.16412 1.00000
Au2 Au 0.30282 0.93790 0.33588 1.00000
Au3 Au 0.06210 0.69718 0.83588 1.00000
Au4 Au 0.69718 0.06210 0.66412 1.00000
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