Cd6In2Ga
Alexandria ALEXAlex-ID: agm005658274 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_673_spg71
Cd4In3 Cd Ga
2023-07-07 06:53:48.107681
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658274).
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 agm005658274
data_agm005658274
_cell_length_a 3.21698
_cell_length_b 8.52028
_cell_length_c 8.52029
_cell_angle_alpha 69.42520
_cell_angle_beta 78.25781
_cell_angle_gamma 78.25779
_cell_volume 211.83458
_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 0.18337 0.66110 0.97172 1.00000
Cd2 Cd 0.81663 0.02828 0.33891 1.00000
Cd3 Cd 0.81663 0.33890 0.02828 1.00000
Cd4 Cd 0.50000 0.72795 0.27205 1.00000
Cd5 Cd 0.18337 0.97172 0.66109 1.00000
Cd6 Cd 0.50000 0.27205 0.72795 1.00000
In1 In 0.13477 0.36909 0.36909 1.00000
In2 In 0.86523 0.63091 0.63091 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
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