LiSc2Cd
Alexandria ALEXAlex-ID: agm005803926 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_9198_spg12
Sc2Cd Li3Cd Sc
2023-07-14 16:06:05.239168
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803926).
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 agm005803926
data_agm005803926
_cell_length_a 3.29151
_cell_length_b 5.59363
_cell_length_c 10.44169
_cell_angle_alpha 108.13512
_cell_angle_beta 89.99323
_cell_angle_gamma 107.12964
_cell_volume 173.70328
_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 0.63468 0.26877 0.96721 1.00000
Li2 Li 0.36532 0.73123 0.03279 1.00000
Sc1 Sc 0.15571 0.31040 0.71123 1.00000
Sc2 Sc 0.84429 0.68960 0.28877 1.00000
Sc3 Sc 0.61464 0.22827 0.43666 1.00000
Sc4 Sc 0.38536 0.77173 0.56334 1.00000
Cd1 Cd 0.08883 0.17707 0.17395 1.00000
Cd2 Cd 0.91117 0.82293 0.82605 1.00000
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