Ba2Sm(CdBi2)2
Alexandria ALEXAlex-ID: agm011451071 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_134_spg12
BaCd11 Ba3(CdBi2)2 Ba2Cd3Bi4 SmBi
2024-04-21 12:10:41.073279
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011451071).
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 agm011451071
data_agm011451071
_cell_length_a 8.98095
_cell_length_b 8.98095
_cell_length_c 7.99624
_cell_angle_alpha 70.95800
_cell_angle_beta 70.95800
_cell_angle_gamma 31.43098
_cell_volume 316.41940
_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
Ba1 Ba 0.13571 0.13571 0.39691 1.00000
Ba2 Ba 0.86429 0.86429 0.60309 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.66369 0.66369 0.01843 1.00000
Cd2 Cd 0.33631 0.33631 0.98157 1.00000
Bi1 Bi 0.20225 0.20225 0.78800 1.00000
Bi2 Bi 0.79775 0.79775 0.21200 1.00000
Bi3 Bi 0.49344 0.49344 0.27750 1.00000
Bi4 Bi 0.50656 0.50656 0.72250 1.00000
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