Ce(SmSi)4
Alexandria ALEXAlex-ID: agm013146293 · Space group: P2_12_12_1 (#19)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_968_spg19
CeSmSi SmSi
2025-01-29 10:57:01
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013146293).
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 agm013146293
data_agm013146293
_cell_length_a 7.64810
_cell_length_b 7.87341
_cell_length_c 14.97586
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 901.79626
_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 0.21228 0.31443 0.64936 1.00000
Ce2 Ce 0.71228 0.18557 0.35064 1.00000
Ce3 Ce 0.28772 0.68557 0.14936 1.00000
Ce4 Ce 0.78772 0.81443 0.85064 1.00000
Sm1 Sm 0.89163 0.48600 0.50015 1.00000
Sm2 Sm 0.39163 0.01400 0.49985 1.00000
Sm3 Sm 0.60837 0.51400 0.00015 1.00000
Sm4 Sm 0.10837 0.98600 0.99985 1.00000
Sm5 Sm 0.93875 0.31995 0.12850 1.00000
Sm6 Sm 0.43875 0.18005 0.87150 1.00000
Sm7 Sm 0.56125 0.68005 0.62850 1.00000
Sm8 Sm 0.06125 0.81995 0.37150 1.00000
Sm9 Sm 0.56226 0.68102 0.37161 1.00000
Sm10 Sm 0.06226 0.81898 0.62839 1.00000
Sm11 Sm 0.93774 0.31898 0.87161 1.00000
Sm12 Sm 0.43774 0.18102 0.12839 1.00000
Sm13 Sm 0.28700 0.68564 0.85088 1.00000
Sm14 Sm 0.78700 0.81436 0.14912 1.00000
Sm15 Sm 0.21300 0.31436 0.35088 1.00000
Sm16 Sm 0.71300 0.18564 0.64912 1.00000
Si1 Si 0.11197 0.02542 0.20887 1.00000
Si2 Si 0.61197 0.47458 0.79113 1.00000
Si3 Si 0.38803 0.97458 0.70887 1.00000
Si4 Si 0.88803 0.52542 0.29113 1.00000
Si5 Si 0.38766 0.97561 0.29096 1.00000
Si6 Si 0.88766 0.52439 0.70904 1.00000
Si7 Si 0.11234 0.02439 0.79096 1.00000
Si8 Si 0.61234 0.47561 0.20904 1.00000
Si9 Si 0.00330 0.12180 0.50021 1.00000
Si10 Si 0.50330 0.37820 0.49979 1.00000
Si11 Si 0.49670 0.87820 0.00021 1.00000
Si12 Si 0.99670 0.62180 0.99979 1.00000
Si13 Si 0.26785 0.60136 0.50022 1.00000
Si14 Si 0.76785 0.89864 0.49978 1.00000
Si15 Si 0.23215 0.39864 0.00022 1.00000
Si16 Si 0.73215 0.10136 0.99978 1.00000
