As2H7Au
Alexandria ALEXAlex-ID: agm006200968 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_948_spg1
AsH AsH9 Au
2024-01-31 17:32:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006200968).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm006200968
data_agm006200968
_cell_length_a 4.88935
_cell_length_b 4.99049
_cell_length_c 6.58801
_cell_angle_alpha 89.86598
_cell_angle_beta 72.96269
_cell_angle_gamma 90.45568
_cell_volume 153.68780
_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
As1 As 0.71368 0.81525 0.18254 1.00000
As2 As 0.33941 0.28670 0.80390 1.00000
H1 H 0.65554 0.81029 0.42402 1.00000
H2 H 0.96915 0.32872 0.44466 1.00000
H3 H 0.47802 0.03718 0.20062 1.00000
H4 H 0.49695 0.02926 0.71995 1.00000
H5 H 0.58005 0.47900 0.69148 1.00000
H6 H 0.47661 0.59109 0.19605 1.00000
H7 H 0.16534 0.30599 0.64518 1.00000
Au1 Au 0.12524 0.31653 0.19159 1.00000
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