K4CdIn2
Alexandria ALEXAlex-ID: agm096130171 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_925_spg44
K2Cd3 K8In11 K
2025-04-10 21:07:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096130171).
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 agm096130171
data_agm096130171
_cell_length_a 5.44313
_cell_length_b 7.05034
_cell_length_c 9.03107
_cell_angle_alpha 106.06037
_cell_angle_beta 89.99378
_cell_angle_gamma 67.35302
_cell_volume 305.13959
_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
K1 K 0.10689 0.57236 0.18883 1.00000
K2 K 0.42498 0.93570 0.61063 1.00000
K3 K 0.78730 0.21032 0.33287 1.00000
K4 K 0.69193 0.40093 0.82911 1.00000
Cd1 Cd 0.41078 0.96535 0.03772 1.00000
In1 In 0.96262 0.86194 0.90513 1.00000
In2 In 0.11551 0.55340 0.59571 1.00000
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