Cd4Bi2Sb
Alexandria ALEXAlex-ID: agm003446830 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_329_spg15
Cd Bi CdSb
2022-02-16 10:03:40.719247
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003446830).
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 agm003446830
data_agm003446830
_cell_length_a 7.38027
_cell_length_b 5.90542
_cell_length_c 9.25579
_cell_angle_alpha 90.00000
_cell_angle_beta 104.59468
_cell_angle_gamma 90.00000
_cell_volume 390.38385
_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
Cd1 Cd 0.58232 0.49860 0.24776 1.00000
Cd2 Cd 0.09289 0.75000 0.83778 1.00000
Cd3 Cd 0.90711 0.25000 0.16222 1.00000
Cd4 Cd 0.58232 0.00140 0.24776 1.00000
Cd5 Cd 0.87437 0.25000 0.50314 1.00000
Cd6 Cd 0.41768 0.99860 0.75224 1.00000
Cd7 Cd 0.41768 0.50140 0.75224 1.00000
Cd8 Cd 0.12563 0.75000 0.49686 1.00000
Bi1 Bi 0.75646 0.75000 0.00339 1.00000
Bi2 Bi 0.24354 0.25000 0.99661 1.00000
Bi3 Bi 0.26492 0.25000 0.44202 1.00000
Bi4 Bi 0.73508 0.75000 0.55798 1.00000
Sb1 Sb 0.19593 0.75000 0.18631 1.00000
Sb2 Sb 0.80407 0.25000 0.81369 1.00000
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