Ba2CdBi
Alexandria ALEXAlex-ID: agm005706703 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_3898_spg63
Ba3Bi2 BaCd2
2023-07-14 15:44:17.704779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706703).
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 agm005706703
data_agm005706703
_cell_length_a 4.76412
_cell_length_b 5.41999
_cell_length_c 12.87233
_cell_angle_alpha 90.00798
_cell_angle_beta 100.65612
_cell_angle_gamma 89.99998
_cell_volume 326.65108
_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 0.81168 0.74981 0.62224 1.00000
Ba2 Ba 0.18832 0.25018 0.37776 1.00000
Ba3 Ba 0.05248 0.75041 0.10558 1.00000
Ba4 Ba 0.94752 0.24958 0.89442 1.00000
Cd1 Cd 0.33623 0.24983 0.67163 1.00000
Cd2 Cd 0.66377 0.75015 0.32837 1.00000
Bi1 Bi 0.57700 0.25061 0.15492 1.00000
Bi2 Bi 0.42300 0.74937 0.84508 1.00000
Get direct link