La(H3Au2)2
Alexandria ALEXAlex-ID: agm007338760 · 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
AB4C6_233_spg1
H6Au LaH3 La14Au51
2025-05-27 19:07:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007338760).
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 agm007338760
data_agm007338760
_cell_length_a 5.17354
_cell_length_b 5.33557
_cell_length_c 6.19300
_cell_angle_alpha 75.26148
_cell_angle_beta 84.51981
_cell_angle_gamma 61.30460
_cell_volume 144.94940
_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
La1 La 0.97199 0.97993 0.80392 1.00000
H1 H 0.99819 0.16371 0.14016 1.00000
H2 H 0.29912 0.57622 0.12491 1.00000
H3 H 0.95055 0.74457 0.46225 1.00000
H4 H 0.29969 0.75222 0.49938 1.00000
H5 H 0.59183 0.89690 0.05290 1.00000
H6 H 0.49173 0.02840 0.65000 1.00000
Au1 Au 0.29562 0.25648 0.07911 1.00000
Au2 Au 0.27966 0.39913 0.57063 1.00000
Au3 Au 0.66954 0.52053 0.07855 1.00000
Au4 Au 0.65197 0.68221 0.53788 1.00000
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