Li2(MgCd)5
Alexandria ALEXAlex-ID: agm005644783 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_49_spg12
Mg2Cd LiMg2Cd3 LiMg2Cd
2023-06-19 02:36:05.282975
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644783).
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 agm005644783
data_agm005644783
_cell_length_a 3.77353
_cell_length_b 7.29314
_cell_length_c 9.84888
_cell_angle_alpha 74.27103
_cell_angle_beta 78.95551
_cell_angle_gamma 75.00683
_cell_volume 249.85930
_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 0.92608 0.40266 0.74517 1.00000
Li2 Li 0.07392 0.59734 0.25483 1.00000
Mg1 Mg 0.83784 0.82597 0.49834 1.00000
Mg2 Mg 0.24983 0.74072 0.75962 1.00000
Mg3 Mg 0.75017 0.25928 0.24038 1.00000
Mg4 Mg 0.16216 0.17403 0.50166 1.00000
Mg5 Mg 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Cd2 Cd 0.33805 0.33921 0.98469 1.00000
Cd3 Cd 0.41474 0.91871 0.25181 1.00000
Cd4 Cd 0.58526 0.08129 0.74819 1.00000
Cd5 Cd 0.66195 0.66079 0.01531 1.00000
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