Na2H5Au2
Alexandria ALEXAlex-ID: agm007369840 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_518_spg71
NaH6Au NaH2Au
2024-02-09 03:05:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007369840).
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 agm007369840
data_agm007369840
_cell_length_a 3.54086
_cell_length_b 4.82531
_cell_length_c 7.61708
_cell_angle_alpha 91.54633
_cell_angle_beta 100.78820
_cell_angle_gamma 89.22077
_cell_volume 127.79188
_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
Na1 Na 0.58452 0.78070 0.22619 1.00000
Na2 Na 0.41548 0.21930 0.77381 1.00000
H1 H 0.99347 0.94220 0.53341 1.00000
H2 H 0.00653 0.05780 0.46659 1.00000
H3 H 0.86354 0.52323 0.66534 1.00000
H4 H 0.13646 0.47677 0.33466 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Au1 Au 0.94198 0.70756 0.85573 1.00000
Au2 Au 0.05802 0.29244 0.14427 1.00000
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