Ce8HC5
Alexandria ALEXAlex-ID: agm003681908 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_5_spg82
Ce2HC Ce Ce2C3
2022-04-10 10:09:29.901118
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003681908).
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 agm003681908
data_agm003681908
_cell_length_a 6.77052
_cell_length_b 6.77052
_cell_length_c 6.77052
_cell_angle_alpha 110.25260
_cell_angle_beta 107.91952
_cell_angle_gamma 110.25260
_cell_volume 238.78394
_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 0.11330 0.74322 0.99581 1.00000
Ce2 Ce 0.00419 0.11748 0.74741 1.00000
Ce3 Ce 0.73375 0.23628 0.35885 1.00000
Ce4 Ce 0.64115 0.37491 0.87743 1.00000
Ce5 Ce 0.50253 0.62509 0.26625 1.00000
Ce6 Ce 0.62992 0.88252 0.88670 1.00000
Ce7 Ce 0.25259 0.25678 0.37008 1.00000
Ce8 Ce 0.12257 0.76372 0.49747 1.00000
H1 H 0.25000 0.50000 0.75000 1.00000
C1 C 0.98810 0.35708 0.11999 1.00000
C2 C 0.88001 0.86811 0.23709 1.00000
C3 C 0.76291 0.64292 0.63102 1.00000
C4 C 0.50000 0.00000 0.50000 1.00000
C5 C 0.36898 0.13189 0.01190 1.00000
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