LaSm4Bi5
Alexandria ALEXAlex-ID: agm063764064 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_457_spg12
LaSm2Bi3 SmBi
2025-01-22 18:44:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063764064).
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 agm063764064
data_agm063764064
_cell_length_a 16.54898
_cell_length_b 16.54898
_cell_length_c 16.54898
_cell_angle_alpha 164.06429
_cell_angle_beta 164.06429
_cell_angle_gamma 22.61035
_cell_volume 341.58584
_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
Sm1 Sm 0.39930 0.39930 0.00000 1.00000
Sm2 Sm 0.79928 0.79928 0.00000 1.00000
Sm3 Sm 0.20072 0.20072 0.00000 1.00000
Sm4 Sm 0.60070 0.60070 0.00000 1.00000
Bi1 Bi 0.10158 0.10158 0.00000 1.00000
Bi2 Bi 0.50000 0.50000 0.00000 1.00000
Bi3 Bi 0.89842 0.89842 0.00000 1.00000
Bi4 Bi 0.29994 0.29994 0.00000 1.00000
Bi5 Bi 0.70006 0.70006 0.00000 1.00000
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