LaCe7Sn4
Alexandria ALEXAlex-ID: agm003666416 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_85_spg12
Ce3Sn La4Sn3 Ce5Sn4
2022-04-27 22:12:58.047727
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666416).
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 agm003666416
data_agm003666416
_cell_length_a 5.89099
_cell_length_b 10.29452
_cell_length_c 6.81708
_cell_angle_alpha 83.77487
_cell_angle_beta 64.40063
_cell_angle_gamma 73.37402
_cell_volume 357.19656
_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 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.80113 0.89216 0.50558 1.00000
Ce2 Ce 0.19887 0.10784 0.49442 1.00000
Ce3 Ce 0.03308 0.64589 0.28795 1.00000
Ce4 Ce 0.96692 0.35411 0.71205 1.00000
Ce5 Ce 0.34636 0.55956 0.74771 1.00000
Ce6 Ce 0.50000 0.00000 0.00000 1.00000
Ce7 Ce 0.65364 0.44044 0.25229 1.00000
Sn1 Sn 0.58507 0.21909 0.61076 1.00000
Sn2 Sn 0.41493 0.78091 0.38924 1.00000
Sn3 Sn 0.71954 0.67496 0.88596 1.00000
Sn4 Sn 0.28046 0.32504 0.11404 1.00000
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