Ca(CdGa3)2
Alexandria ALEXAlex-ID: agm005603373 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_302_spg191
CaGa4 Ga Cd
2023-07-06 13:55:08.446821
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005603373).
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 agm005603373
data_agm005603373
_cell_length_a 3.65914
_cell_length_b 7.80669
_cell_length_c 7.80670
_cell_angle_alpha 120.00002
_cell_angle_beta 89.99996
_cell_angle_gamma 90.00002
_cell_volume 193.12723
_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
Ca1 Ca 0.00000 0.00000 1.00000 1.00000
Cd1 Cd 0.00000 0.33333 0.66667 1.00000
Cd2 Cd 1.00000 0.66667 0.33333 1.00000
Ga1 Ga 0.50000 0.33890 0.33890 1.00000
Ga2 Ga 0.50000 0.66110 0.66110 1.00000
Ga3 Ga 0.50000 0.00000 0.66110 1.00000
Ga4 Ga 0.50000 0.66110 1.00000 1.00000
Ga5 Ga 0.50000 0.33890 0.00000 1.00000
Ga6 Ga 0.50000 1.00000 0.33890 1.00000
Get direct link