GaH4Au
Alexandria ALEXAlex-ID: agm007615027 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_71_spg43
H6Au Ga2Au H2
2024-02-09 13:52:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007615027).
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 agm007615027
data_agm007615027
_cell_length_a 5.12391
_cell_length_b 5.07623
_cell_length_c 7.62239
_cell_angle_alpha 94.97531
_cell_angle_beta 102.21312
_cell_angle_gamma 119.67399
_cell_volume 164.02574
_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
Ga1 Ga 0.33490 0.29055 0.52303 1.00000
Ga2 Ga 0.13788 0.86459 0.05515 1.00000
H1 H 0.59091 0.76534 0.49930 1.00000
H2 H 0.09433 0.71336 0.82894 1.00000
H3 H 0.04823 0.36286 0.40152 1.00000
H4 H 0.17914 0.21926 0.69581 1.00000
H5 H 0.40823 0.04838 0.44530 1.00000
H6 H 0.94976 0.10643 0.95455 1.00000
H7 H 0.89926 0.56022 0.12362 1.00000
H8 H 0.50972 0.02749 0.13099 1.00000
Au1 Au 0.85920 0.79387 0.67155 1.00000
Au2 Au 0.98843 0.24766 0.17024 1.00000
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