ErH6Au5
Alexandria ALEXAlex-ID: agm007342371 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_458_spg2
H6Au ErAu4
2024-05-29 08:08:42.462645
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007342371).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007342371
data_agm007342371
_cell_length_a 5.43308
_cell_length_b 5.61090
_cell_length_c 8.28401
_cell_angle_alpha 110.40556
_cell_angle_beta 134.22919
_cell_angle_gamma 85.32691
_cell_volume 164.60794
_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
Er1 Er 0.00000 0.00000 0.00000 1.00000
H1 H 0.12502 0.22012 0.35648 1.00000
H2 H 0.52487 0.19506 0.80046 1.00000
H3 H 0.40055 0.73635 0.64165 1.00000
H4 H 0.59945 0.26365 0.35835 1.00000
H5 H 0.47513 0.80494 0.19954 1.00000
H6 H 0.87498 0.77988 0.64352 1.00000
Au1 Au 0.22146 0.97825 0.73781 1.00000
Au2 Au 0.22861 0.46935 0.98080 1.00000
Au3 Au 0.50000 0.50000 0.50000 1.00000
Au4 Au 0.77139 0.53065 0.01920 1.00000
Au5 Au 0.77854 0.02175 0.26219 1.00000
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