LiAl4Cd2O8
Alexandria ALEXAlex-ID: agm005234710 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D8_133_spg44
LiAl5O8 LiAlO2 Cd CdO
2023-05-06 22:16:47.040000
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005234710).
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 agm005234710
data_agm005234710
_cell_length_a 6.30075
_cell_length_b 6.30075
_cell_length_c 6.30075
_cell_angle_alpha 125.11261
_cell_angle_beta 121.88916
_cell_angle_gamma 84.06138
_cell_volume 166.34610
_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 0.58745 0.08745 0.50000 1.00000
Al1 Al 0.78772 0.02883 0.24112 1.00000
Al2 Al 0.73916 0.50279 0.23637 1.00000
Al3 Al 0.26642 0.50279 0.76363 1.00000
Al4 Al 0.78772 0.54660 0.75888 1.00000
Cd1 Cd 0.14497 0.14497 0.00000 1.00000
Cd2 Cd 0.32930 0.82930 0.50000 1.00000
O1 O 0.98506 0.69936 0.71430 1.00000
O2 O 0.97102 0.27381 0.69721 1.00000
O3 O 0.57660 0.27381 0.30279 1.00000
O4 O 0.98506 0.27076 0.28570 1.00000
O5 O 0.49883 0.28334 0.78451 1.00000
O6 O 0.53075 0.72301 0.80775 1.00000
O7 O 0.91526 0.72301 0.19225 1.00000
O8 O 0.49883 0.71433 0.21549 1.00000
Get direct link