Ce5(InH)2
Alexandria ALEXAlex-ID: agm007147541 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1884_spg5
Ce2In CeH2
2024-03-15 18:13:29.010147
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007147541).
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 agm007147541
data_agm007147541
_cell_length_a 8.63247
_cell_length_b 8.63247
_cell_length_c 9.96545
_cell_angle_alpha 57.26448
_cell_angle_beta 57.26448
_cell_angle_gamma 40.95559
_cell_volume 397.48287
_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 0.30220 0.00937 0.10695 1.00000
Ce2 Ce 0.99063 0.69780 0.89305 1.00000
Ce3 Ce 0.01830 0.43297 0.70794 1.00000
Ce4 Ce 0.56703 0.98170 0.29206 1.00000
Ce5 Ce 0.26340 0.44936 0.31402 1.00000
Ce6 Ce 0.64896 0.44011 0.12730 1.00000
Ce7 Ce 0.55989 0.35104 0.87270 1.00000
Ce8 Ce 0.55064 0.73660 0.68598 1.00000
Ce9 Ce 0.98022 0.08232 0.64346 1.00000
Ce10 Ce 0.91768 0.01978 0.35654 1.00000
In1 In 0.55926 0.08416 0.71845 1.00000
In2 In 0.91584 0.44074 0.28155 1.00000
In3 In 0.07369 0.92631 0.00000 1.00000
In4 In 0.42093 0.57907 0.50000 1.00000
H1 H 0.61455 0.00297 0.03330 1.00000
H2 H 0.25956 0.14026 0.54154 1.00000
H3 H 0.85974 0.74044 0.45846 1.00000
H4 H 0.99703 0.38545 0.96670 1.00000
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