K3(Cd2Ga)2
Alexandria ALEXAlex-ID: agm005668630 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_43_spg12
K2Ga3 KCd2 KGa3
2023-06-27 05:58:49.124371
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668630).
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 agm005668630
data_agm005668630
_cell_length_a 4.80015
_cell_length_b 6.86372
_cell_length_c 9.86492
_cell_angle_alpha 106.81348
_cell_angle_beta 90.00000
_cell_angle_gamma 110.46746
_cell_volume 289.62333
_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 0.37795 0.75590 0.62605 1.00000
K2 K 0.00000 0.00000 0.00000 1.00000
K3 K 0.62205 0.24410 0.37395 1.00000
Cd1 Cd 0.72765 0.45531 0.07216 1.00000
Cd2 Cd 0.08771 0.17542 0.63967 1.00000
Cd3 Cd 0.91229 0.82458 0.36033 1.00000
Cd4 Cd 0.27235 0.54469 0.92784 1.00000
Ga1 Ga 0.31016 0.62032 0.23199 1.00000
Ga2 Ga 0.68984 0.37968 0.76801 1.00000
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