Ba(Cd3In2)2
Alexandria ALEXAlex-ID: agm003661622 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_181_spg121
CdIn6 BaCd11 BaCdIn3
2022-04-08 10:48:57.820056
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661622).
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 agm003661622
data_agm003661622
_cell_length_a 7.77565
_cell_length_b 7.77565
_cell_length_c 7.77565
_cell_angle_alpha 86.19157
_cell_angle_beta 122.22262
_cell_angle_gamma 122.22262
_cell_volume 320.48663
_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 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.75102 0.42595 1.00000
Cd2 Cd 0.00000 0.42595 0.75102 1.00000
Cd3 Cd 0.67493 0.24898 0.24898 1.00000
Cd4 Cd 0.50000 0.00000 0.50000 1.00000
Cd5 Cd 0.32507 0.57405 0.57405 1.00000
Cd6 Cd 0.50000 0.50000 0.00000 1.00000
In1 In 0.00000 0.09789 0.52797 1.00000
In2 In 0.56992 0.47203 0.47203 1.00000
In3 In 0.00000 0.52797 0.09789 1.00000
In4 In 0.43008 0.90211 0.90211 1.00000
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