Ba2Sc(CdBi2)2
Alexandria ALEXAlex-ID: agm011503151 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_134_spg12
Ba3(CdBi2)2 BaCd11 Ba2Cd3Bi4 ScBi
2024-04-23 22:13:55.491593
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011503151).
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 agm011503151
data_agm011503151
_cell_length_a 8.80054
_cell_length_b 8.80054
_cell_length_c 8.06587
_cell_angle_alpha 71.06039
_cell_angle_beta 71.06039
_cell_angle_gamma 31.03760
_cell_volume 303.27086
_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 0.13325 0.13325 0.39927 1.00000
Ba2 Ba 0.86675 0.86675 0.60073 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.67200 0.67200 0.02216 1.00000
Cd2 Cd 0.32800 0.32800 0.97784 1.00000
Bi1 Bi 0.19446 0.19446 0.78580 1.00000
Bi2 Bi 0.80554 0.80554 0.21420 1.00000
Bi3 Bi 0.49538 0.49538 0.25566 1.00000
Bi4 Bi 0.50462 0.50462 0.74434 1.00000
Get direct link