Ce5Si5Ir2
Alexandria ALEXAlex-ID: agm005665694 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_19_spg12
Ce2Si2Ir CeSi
2023-06-19 07:32:23.035133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665694).
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 agm005665694
data_agm005665694
_cell_length_a 4.15147
_cell_length_b 7.69047
_cell_length_c 8.70266
_cell_angle_alpha 80.28179
_cell_angle_beta 76.20095
_cell_angle_gamma 74.34108
_cell_volume 258.18934
_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 0.50000 0.50000 1.00000
Ce2 Ce 0.69990 0.70227 0.89794 1.00000
Ce3 Ce 0.37441 0.95537 0.29580 1.00000
Ce4 Ce 0.62559 0.04463 0.70420 1.00000
Ce5 Ce 0.30010 0.29773 0.10206 1.00000
Si1 Si 0.69503 0.23807 0.37187 1.00000
Si2 Si 0.93915 0.29041 0.83128 1.00000
Si3 Si 0.06085 0.70959 0.16872 1.00000
Si4 Si 0.30497 0.76193 0.62813 1.00000
Si5 Si 0.00000 0.00000 0.00000 1.00000
Ir1 Ir 0.39315 0.44960 0.76410 1.00000
Ir2 Ir 0.60685 0.55040 0.23590 1.00000
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