Cd6Ga8Bi
Alexandria ALEXAlex-ID: agm072536633 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_366_spg148
Cd Ga Bi
2024-10-06 05:51:47.776505
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072536633).
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
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# CIF generated by HEAS from Alexandria entry agm072536633
data_agm072536633
_cell_length_a 7.24628
_cell_length_b 7.24628
_cell_length_c 7.24628
_cell_angle_alpha 71.30741
_cell_angle_beta 71.30741
_cell_angle_gamma 71.30741
_cell_volume 331.20180
_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 0.83172 0.69437 0.42292 1.00000
Cd2 Cd 0.69437 0.42292 0.83172 1.00000
Cd3 Cd 0.42292 0.83172 0.69437 1.00000
Cd4 Cd 0.16828 0.30563 0.57708 1.00000
Cd5 Cd 0.30563 0.57708 0.16828 1.00000
Cd6 Cd 0.57708 0.16828 0.30563 1.00000
Ga1 Ga 0.80870 0.80870 0.80870 1.00000
Ga2 Ga 0.19130 0.19130 0.19130 1.00000
Ga3 Ga 0.18602 0.51316 0.84706 1.00000
Ga4 Ga 0.51316 0.84706 0.18602 1.00000
Ga5 Ga 0.84706 0.18602 0.51316 1.00000
Ga6 Ga 0.81398 0.48684 0.15294 1.00000
Ga7 Ga 0.48684 0.15294 0.81398 1.00000
Ga8 Ga 0.15294 0.81398 0.48684 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
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