CeNb(AlH4)2
Alexandria ALEXAlex-ID: agm007491310 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
CeAlH6 NbH2 NbAl3 AlH3
2024-02-09 03:36:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007491310).
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 agm007491310
data_agm007491310
_cell_length_a 4.17196
_cell_length_b 4.56825
_cell_length_c 7.02955
_cell_angle_alpha 71.13927
_cell_angle_beta 107.63151
_cell_angle_gamma 116.73088
_cell_volume 111.24718
_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
Nb1 Nb 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.23388 0.82405 0.65303 1.00000
Al2 Al 0.76612 0.17595 0.34697 1.00000
H1 H 0.33113 0.71863 0.92679 1.00000
H2 H 0.75268 0.69920 0.73200 1.00000
H3 H 0.66887 0.28137 0.07321 1.00000
H4 H 0.31037 0.81769 0.30683 1.00000
H5 H 0.68963 0.18231 0.69317 1.00000
H6 H 0.78341 0.79973 0.29280 1.00000
H7 H 0.21659 0.20027 0.70720 1.00000
H8 H 0.24732 0.30080 0.26800 1.00000
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