Sm2Bi2Au3
Alexandria ALEXAlex-ID: agm011237381 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_202_spg12
SmAu3 Sm3Bi4Au3
2024-03-18 06:20:07.193819
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011237381).
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 agm011237381
data_agm011237381
_cell_length_a 9.02953
_cell_length_b 9.02953
_cell_length_c 4.77983
_cell_angle_alpha 74.48449
_cell_angle_beta 74.48449
_cell_angle_gamma 29.87335
_cell_volume 186.52182
_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
Sm1 Sm 0.63258 0.63258 0.36939 1.00000
Sm2 Sm 0.36742 0.36742 0.63061 1.00000
Bi1 Bi 0.88717 0.88717 0.11127 1.00000
Bi2 Bi 0.11283 0.11283 0.88873 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Au2 Au 0.74720 0.74720 0.75360 1.00000
Au3 Au 0.25280 0.25280 0.24640 1.00000
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