Er2H3Au
Alexandria ALEXAlex-ID: agm005807983 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6_spg12
ErHAu ErH2
2023-07-09 23:32:50.835515
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807983).
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 agm005807983
data_agm005807983
_cell_length_a 3.61578
_cell_length_b 7.27761
_cell_length_c 7.03865
_cell_angle_alpha 111.55089
_cell_angle_beta 90.00000
_cell_angle_gamma 104.38393
_cell_volume 166.01069
_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 0.46721 0.93443 0.73232 1.00000
Er2 Er 0.53279 0.06557 0.26768 1.00000
Er3 Er 0.80087 0.60173 0.32042 1.00000
Er4 Er 0.19913 0.39827 0.67958 1.00000
H1 H 0.30525 0.61050 0.52117 1.00000
H2 H 0.93736 0.87473 0.57937 1.00000
H3 H 0.59172 0.18344 0.62200 1.00000
H4 H 0.40828 0.81656 0.37800 1.00000
H5 H 0.06264 0.12527 0.42063 1.00000
H6 H 0.69475 0.38950 0.47883 1.00000
Au1 Au 0.87027 0.74055 0.95209 1.00000
Au2 Au 0.12973 0.25945 0.04791 1.00000
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