Ce(YSi3)2
Alexandria ALEXAlex-ID: agm005597482 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_302_spg191
Y10Si17 CeSi2 Si
2023-07-09 13:49:43.358262
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005597482).
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 agm005597482
data_agm005597482
_cell_length_a 4.01488
_cell_length_b 7.07238
_cell_length_c 7.07240
_cell_angle_alpha 120.00000
_cell_angle_beta 89.99997
_cell_angle_gamma 90.00002
_cell_volume 173.91462
_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 1.00000 1.00000
Y1 Y 0.00000 0.33333 0.66667 1.00000
Y2 Y 1.00000 0.66667 0.33333 1.00000
Si1 Si 0.50000 0.33401 0.33401 1.00000
Si2 Si 0.50000 0.66599 0.66599 1.00000
Si3 Si 0.50000 0.00000 0.66599 1.00000
Si4 Si 0.50000 0.66599 1.00000 1.00000
Si5 Si 0.50000 0.33401 0.00000 1.00000
Si6 Si 0.50000 1.00000 0.33401 1.00000
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