Ce(HfH4)2
Alexandria ALEXAlex-ID: agm003535535 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_543_spg12
Hf4H15 CeH3 HfH2
2022-03-15 08:33:52.209579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003535535).
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 agm003535535
data_agm003535535
_cell_length_a 3.60808
_cell_length_b 5.55339
_cell_length_c 5.55339
_cell_angle_alpha 113.73279
_cell_angle_beta 93.08797
_cell_angle_gamma 93.08797
_cell_volume 101.36778
_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
Ce1 Ce 0.50000 0.00000 0.00000 1.00000
Hf1 Hf 0.00000 0.33185 0.66815 1.00000
Hf2 Hf 0.00000 0.66815 0.33185 1.00000
H1 H 0.96744 0.97075 0.68843 1.00000
H2 H 0.96744 0.68843 0.97075 1.00000
H3 H 0.28661 0.61562 0.61562 1.00000
H4 H 0.50000 0.75019 0.24981 1.00000
H5 H 0.50000 0.24981 0.75019 1.00000
H6 H 0.71339 0.38438 0.38438 1.00000
H7 H 0.03256 0.31157 0.02925 1.00000
H8 H 0.03256 0.02925 0.31157 1.00000
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