La3Sm2YBi6
Alexandria ALEXAlex-ID: agm030157724 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
SmY3Bi4 Sm3YBi4 LaBi
2025-01-07 05:59:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm030157724).
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 agm030157724
data_agm030157724
_cell_length_a 8.00944
_cell_length_b 8.00944
_cell_length_c 7.98971
_cell_angle_alpha 80.38899
_cell_angle_beta 99.61101
_cell_angle_gamma 60.00232
_cell_volume 418.41445
_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 0.16776 0.16776 0.50000 1.00000
La2 La 0.83224 0.83224 0.50000 1.00000
La3 La 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.33370 0.33370 0.00000 1.00000
Sm2 Sm 0.66630 0.66630 0.00000 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Bi1 Bi 0.41096 0.91986 0.24066 1.00000
Bi2 Bi 0.25002 0.74998 0.75807 1.00000
Bi3 Bi 0.58904 0.08014 0.75934 1.00000
Bi4 Bi 0.08014 0.58904 0.24066 1.00000
Bi5 Bi 0.74998 0.25002 0.24193 1.00000
Bi6 Bi 0.91986 0.41096 0.75934 1.00000
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