LiAc2Sn5
Alexandria ALEXAlex-ID: agm003469902 · Space group: Fmm2 (#42)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_414_spg107
LiAcSn2 AcSn3
2022-03-24 05:39:57.979075
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469902).
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 agm003469902
data_agm003469902
_cell_length_a 7.02475
_cell_length_b 7.02492
_cell_length_c 6.93146
_cell_angle_alpha 121.13034
_cell_angle_beta 121.12626
_cell_angle_gamma 88.96007
_cell_volume 235.71675
_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
Li1 Li 0.21659 0.21659 0.43429 1.00000
Ac1 Ac 0.22549 0.72479 0.45018 1.00000
Ac2 Ac 0.72479 0.22549 0.45018 1.00000
Sn1 Sn 0.73333 0.22226 0.95551 1.00000
Sn2 Sn 0.25436 0.25437 0.93883 1.00000
Sn3 Sn 0.68591 0.68592 0.94103 1.00000
Sn4 Sn 0.22227 0.73332 0.95551 1.00000
Sn5 Sn 0.71426 0.71426 0.42848 1.00000
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