LiSmTm
Alexandria ALEXAlex-ID: agm005686763 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2603_spg156
SmTm2 Li Sm
2023-06-17 20:29:29.809013
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686763).
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
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# CIF generated by HEAS from Alexandria entry agm005686763
data_agm005686763
_cell_length_a 3.51275
_cell_length_b 3.51275
_cell_length_c 20.28651
_cell_angle_alpha 121.16569
_cell_angle_beta 121.16568
_cell_angle_gamma 59.96001
_cell_volume 173.77136
_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 0.97073 0.97073 0.56877 1.00000
Li2 Li 0.02927 0.02927 0.43123 1.00000
Sm1 Sm 0.64596 0.64596 0.90591 1.00000
Sm2 Sm 0.35404 0.35404 0.09409 1.00000
Tm1 Tm 0.96323 0.96323 0.73091 1.00000
Tm2 Tm 0.03677 0.03677 0.26909 1.00000
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