YbH5
Alexandria ALEXAlex-ID: agm090731333 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5_1045_spg12
YbH2 H2
2025-05-28 03:06:35
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm090731333).
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
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# CIF generated by HEAS from Alexandria entry agm090731333
data_agm090731333
_cell_length_a 4.65301
_cell_length_b 4.65376
_cell_length_c 5.84822
_cell_angle_alpha 72.24433
_cell_angle_beta 107.77703
_cell_angle_gamma 126.02997
_cell_volume 96.22169
_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 0.25485 0.24508 0.79084 1.00000
Yb2 Yb 0.75387 0.74614 0.29006 1.00000
H1 H 0.24865 0.69953 0.34063 1.00000
H2 H 0.73347 0.27229 0.68544 1.00000
H3 H 0.23503 0.26509 0.15734 1.00000
H4 H 0.73587 0.76405 0.65767 1.00000
H5 H 0.72678 0.26783 0.18562 1.00000
H6 H 0.30136 0.75027 0.84032 1.00000
H7 H 0.74956 0.19843 0.84016 1.00000
H8 H 0.23241 0.77343 0.18575 1.00000
H9 H 0.22733 0.76617 0.68558 1.00000
H10 H 0.80083 0.25170 0.34058 1.00000
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