Ca2Cd2Bi5
Alexandria ALEXAlex-ID: agm009679336 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_59_spg64
CaCdBi2 Bi
2024-03-23 11:58:34.127104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009679336).
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 agm009679336
data_agm009679336
_cell_length_a 9.68580
_cell_length_b 9.68580
_cell_length_c 8.07693
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 129.08365
_cell_volume 588.17363
_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
Ca1 Ca 0.31214 0.68786 0.50000 1.00000
Ca2 Ca 0.81214 0.18786 0.00000 1.00000
Ca3 Ca 0.68786 0.31214 0.50000 1.00000
Ca4 Ca 0.18786 0.81214 0.00000 1.00000
Cd1 Cd 0.64261 0.64261 0.86299 1.00000
Cd2 Cd 0.35739 0.35739 0.13701 1.00000
Cd3 Cd 0.85739 0.85739 0.36299 1.00000
Cd4 Cd 0.14261 0.14261 0.63701 1.00000
Bi1 Bi 0.50000 0.50000 0.50000 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Bi3 Bi 0.72363 0.00926 0.63076 1.00000
Bi4 Bi 0.99074 0.27637 0.36924 1.00000
Bi5 Bi 0.49074 0.77637 0.13076 1.00000
Bi6 Bi 0.22363 0.50926 0.86924 1.00000
Bi7 Bi 0.27637 0.99074 0.36924 1.00000
Bi8 Bi 0.00926 0.72363 0.63076 1.00000
Bi9 Bi 0.50926 0.22363 0.86924 1.00000
Bi10 Bi 0.77637 0.49074 0.13076 1.00000
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