Er(H3Au)4
Alexandria ALEXAlex-ID: agm006486563 · Space group: I222 (#23)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_132_spg23
ErH3 H6Au ErAu4
2024-10-22 07:20:48.155266
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006486563).
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 agm006486563
data_agm006486563
_cell_length_a 6.52773
_cell_length_b 6.52773
_cell_length_c 6.52773
_cell_angle_alpha 117.53476
_cell_angle_beta 125.33676
_cell_angle_gamma 87.66927
_cell_volume 191.07010
_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 0.50000 0.00000 0.50000 1.00000
H1 H 0.40415 0.35814 0.61809 1.00000
H2 H 0.12167 0.07178 0.35001 1.00000
H3 H 0.57850 0.33559 0.35039 1.00000
H4 H 0.27823 0.92822 0.04989 1.00000
H5 H 0.42150 0.77189 0.75709 1.00000
H6 H 0.72177 0.77166 0.64999 1.00000
H7 H 0.01481 0.66441 0.24291 1.00000
H8 H 0.98519 0.22811 0.64961 1.00000
H9 H 0.87833 0.22834 0.95011 1.00000
H10 H 0.74005 0.78605 0.38191 1.00000
H11 H 0.59585 0.21395 0.95400 1.00000
H12 H 0.25995 0.64186 0.04600 1.00000
Au1 Au 0.54707 0.55868 0.61267 1.00000
Au2 Au 0.05398 0.44132 0.98839 1.00000
Au3 Au 0.94602 0.93440 0.38733 1.00000
Au4 Au 0.45293 0.06560 0.01161 1.00000
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