LiScCd4
Alexandria ALEXAlex-ID: agm005777876 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3116_spg12
Li3Cd4 ScCd3 ScCd
2023-07-29 03:23:33.848643
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777876).
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 agm005777876
data_agm005777876
_cell_length_a 3.19000
_cell_length_b 5.27408
_cell_length_c 8.11837
_cell_angle_alpha 95.79817
_cell_angle_beta 78.66949
_cell_angle_gamma 72.39682
_cell_volume 125.75773
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Sc1 Sc 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.82702 0.50701 0.83895 1.00000
Cd2 Cd 0.33893 0.99771 0.32444 1.00000
Cd3 Cd 0.17298 0.49299 0.16105 1.00000
Cd4 Cd 0.66107 0.00229 0.67556 1.00000
