Li2Cd3O4
Alexandria ALEXAlex-ID: agm005656923 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_992_spg12
Li2CdO2 CdO
2023-06-27 08:38:41.106754
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656923).
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
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# CIF generated by HEAS from Alexandria entry agm005656923
data_agm005656923
_cell_length_a 3.29029
_cell_length_b 5.79489
_cell_length_c 6.65642
_cell_angle_alpha 80.86724
_cell_angle_beta 75.69097
_cell_angle_gamma 73.50714
_cell_volume 117.38284
_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 0.64663 0.08094 0.62580 1.00000
Li2 Li 0.35337 0.91906 0.37420 1.00000
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Cd2 Cd 0.17799 0.42484 0.21917 1.00000
Cd3 Cd 0.82201 0.57516 0.78083 1.00000
O1 O 0.76296 0.15002 0.32405 1.00000
O2 O 0.23704 0.84998 0.67595 1.00000
O3 O 0.42420 0.28983 0.86177 1.00000
O4 O 0.57580 0.71017 0.13823 1.00000
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