La3CeSn3
Alexandria ALEXAlex-ID: agm003544656 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_416_spg12
Ce3Sn La4Sn3 Ce5Sn4
2022-04-04 14:03:09.803374
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003544656).
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 agm003544656
data_agm003544656
_cell_length_a 7.82448
_cell_length_b 7.82448
_cell_length_c 8.57737
_cell_angle_alpha 89.60678
_cell_angle_beta 89.60678
_cell_angle_gamma 120.76638
_cell_volume 451.17774
_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
La1 La 0.69269 0.69269 0.44437 1.00000
La2 La 0.20291 0.79709 0.50000 1.00000
La3 La 0.79709 0.20291 0.50000 1.00000
La4 La 0.19237 0.80763 0.00000 1.00000
La5 La 0.80763 0.19237 0.00000 1.00000
La6 La 0.30731 0.30731 0.55563 1.00000
Ce1 Ce 0.65625 0.65625 0.05942 1.00000
Ce2 Ce 0.34375 0.34375 0.94058 1.00000
Sn1 Sn 0.03870 0.03870 0.24176 1.00000
Sn2 Sn 0.78426 0.50043 0.75511 1.00000
Sn3 Sn 0.50043 0.78426 0.75511 1.00000
Sn4 Sn 0.21574 0.49957 0.24489 1.00000
Sn5 Sn 0.49957 0.21574 0.24489 1.00000
Sn6 Sn 0.96130 0.96130 0.75824 1.00000
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