YEr2(H4Au)3
Alexandria ALEXAlex-ID: agm006863545 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_516_spg1
ErAu4 YH3 ErH3 H6Au
2024-08-14 00:20:21.722831
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006863545).
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 agm006863545
data_agm006863545
_cell_length_a 6.20419
_cell_length_b 6.14149
_cell_length_c 6.41165
_cell_angle_alpha 121.13545
_cell_angle_beta 112.80868
_cell_angle_gamma 92.65556
_cell_volume 183.08865
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.39561 0.61750 0.76477 1.00000
Er2 Er 0.60439 0.38250 0.23523 1.00000
H1 H 0.94319 0.38960 0.18960 1.00000
H2 H 0.98456 0.76305 0.57107 1.00000
H3 H 0.66106 0.00375 0.01215 1.00000
H4 H 0.19227 0.30057 0.95938 1.00000
H5 H 0.35151 0.31788 0.36736 1.00000
H6 H 0.52081 0.73159 0.21454 1.00000
H7 H 0.05681 0.61040 0.81040 1.00000
H8 H 0.01544 0.23695 0.42893 1.00000
H9 H 0.33894 0.99625 0.98785 1.00000
H10 H 0.80773 0.69943 0.04062 1.00000
H11 H 0.64849 0.68212 0.63264 1.00000
H12 H 0.47919 0.26841 0.78546 1.00000
Au1 Au 0.50000 0.00000 0.50000 1.00000
Au2 Au 0.00000 0.50000 0.00000 1.00000
Au3 Au 0.00000 0.00000 0.50000 1.00000
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