Ce4C5
Alexandria ALEXAlex-ID: agm010141833 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_30_spg55
Ce2C3 Ce
2024-04-06 20:53:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010141833).
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 agm010141833
data_agm010141833
_cell_length_a 3.78662
_cell_length_b 6.69390
_cell_length_c 12.03171
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 304.97072
_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 0.88688 0.70558 1.00000
Ce2 Ce 0.00000 0.11312 0.29442 1.00000
Ce3 Ce 0.00000 0.61312 0.20558 1.00000
Ce4 Ce 0.00000 0.38688 0.79442 1.00000
Ce5 Ce 0.50000 0.75429 0.96230 1.00000
Ce6 Ce 0.50000 0.24571 0.03770 1.00000
Ce7 Ce 0.50000 0.74571 0.46230 1.00000
Ce8 Ce 0.50000 0.25429 0.53770 1.00000
C1 C 0.50000 0.59852 0.66323 1.00000
C2 C 0.50000 0.40148 0.33677 1.00000
C3 C 0.50000 0.90148 0.16323 1.00000
C4 C 0.50000 0.09852 0.83677 1.00000
C5 C 0.50000 0.64332 0.77394 1.00000
C6 C 0.50000 0.35668 0.22606 1.00000
C7 C 0.50000 0.85668 0.27394 1.00000
C8 C 0.50000 0.14332 0.72606 1.00000
C9 C 0.00000 0.50000 0.00000 1.00000
C10 C 0.00000 0.00000 0.50000 1.00000
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