YbInHAu
Alexandria ALEXAlex-ID: agm073027811 · Space group: P-62m (#189)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD_1821_spg189
YbInAu YbInAu2 YbH2 In2Au
2024-10-29 01:28:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073027811).
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 agm073027811
data_agm073027811
_cell_length_a 7.45821
_cell_length_b 7.45821
_cell_length_c 4.76852
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 229.71203
_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
Yb1 Yb 0.00000 0.41332 0.50000 1.00000
Yb2 Yb 0.41332 0.00000 0.50000 1.00000
Yb3 Yb 0.58668 0.58668 0.50000 1.00000
In1 In 0.00000 0.74359 0.00000 1.00000
In2 In 0.74359 0.00000 0.00000 1.00000
In3 In 0.25641 0.25641 0.00000 1.00000
H1 H 0.00000 0.75410 0.50000 1.00000
H2 H 0.75410 0.00000 0.50000 1.00000
H3 H 0.24590 0.24590 0.50000 1.00000
Au1 Au 0.33333 0.66667 0.00000 1.00000
Au2 Au 0.66667 0.33333 0.00000 1.00000
Au3 Au 0.00000 0.00000 0.50000 1.00000
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