CaCdSi
Alexandria ALEXAlex-ID: agm003145656 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_63_spg74
CaSi2 CaCd6 CaSi
2015-04-26 15:50:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003145656).
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 agm003145656
data_agm003145656
_cell_length_a 5.74487
_cell_length_b 5.63185
_cell_length_c 5.74579
_cell_angle_alpha 60.66893
_cell_angle_beta 118.68069
_cell_angle_gamma 119.33579
_cell_volume 134.06029
_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 0.01934 0.42245 0.37376 1.00000
Ca2 Ca 0.26195 0.16480 0.13112 1.00000
Si1 Si 0.67361 0.79601 0.28150 1.00000
Si2 Si 0.11150 0.79604 0.71928 1.00000
Cd1 Cd 0.62712 0.27890 0.76596 1.00000
Cd2 Cd 0.62669 0.78123 0.76651 1.00000
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