CeY3C2
Alexandria ALEXAlex-ID: agm005691833 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_993_spg12
Y2C Ce Ce2C3
2023-08-07 08:59:20.582866
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005691833).
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 agm005691833
data_agm005691833
_cell_length_a 3.59476
_cell_length_b 8.36520
_cell_length_c 9.64934
_cell_angle_alpha 87.89524
_cell_angle_beta 79.26481
_cell_angle_gamma 77.59245
_cell_volume 278.42615
_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 0.44264 0.41706 0.69766 1.00000
Ce2 Ce 0.55736 0.58294 0.30234 1.00000
Y1 Y 0.05910 0.07794 0.80386 1.00000
Y2 Y 0.94090 0.92206 0.19614 1.00000
Y3 Y 0.69313 0.66724 0.94649 1.00000
Y4 Y 0.30687 0.33276 0.05351 1.00000
Y5 Y 0.80908 0.83310 0.54873 1.00000
Y6 Y 0.19092 0.16690 0.45127 1.00000
C1 C 0.87668 0.37392 0.87272 1.00000
C2 C 0.12332 0.62608 0.12728 1.00000
C3 C 0.62370 0.12446 0.62815 1.00000
C4 C 0.37630 0.87554 0.37185 1.00000
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