CeU(NiH4)2
Alexandria ALEXAlex-ID: agm007192019 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_37_spg148
CeNiH4 UNi5 Ce(NiH3)2 UH3
2024-07-02 10:02:09.871587
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007192019).
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 agm007192019
data_agm007192019
_cell_length_a 4.34580
_cell_length_b 4.34514
_cell_length_c 6.89585
_cell_angle_alpha 108.35925
_cell_angle_beta 89.99485
_cell_angle_gamma 120.00483
_cell_volume 105.04288
_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 0.00000 0.00000 0.00000 1.00000
U1 U 0.50000 0.00000 0.50000 1.00000
Ni1 Ni 0.76145 0.52303 0.28431 1.00000
Ni2 Ni 0.23855 0.47697 0.71569 1.00000
H1 H 0.53703 0.07411 0.18350 1.00000
H2 H 0.10951 0.64657 0.18343 1.00000
H3 H 0.46297 0.92589 0.81650 1.00000
H4 H 0.84584 0.69162 0.53740 1.00000
H5 H 0.15416 0.30838 0.46260 1.00000
H6 H 0.46304 0.35346 0.81661 1.00000
H7 H 0.53696 0.64654 0.18339 1.00000
H8 H 0.89049 0.35343 0.81657 1.00000
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