Li10MgCd4
Alexandria ALEXAlex-ID: agm005998967 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
Li2MgCd Li2Cd Li3Cd
2023-08-08 08:02:41.270757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998967).
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 agm005998967
data_agm005998967
_cell_length_a 5.72686
_cell_length_b 8.36485
_cell_length_c 8.36485
_cell_angle_alpha 83.27056
_cell_angle_beta 69.98189
_cell_angle_gamma 69.98189
_cell_volume 353.75678
_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 0.25000 0.50000 0.50000 1.00000
Li2 Li 0.63761 0.32629 0.90250 1.00000
Li3 Li 0.03610 0.09750 0.32629 1.00000
Li4 Li 0.45989 0.90250 0.67371 1.00000
Li5 Li 0.86640 0.67371 0.09750 1.00000
Li6 Li 0.36239 0.67371 0.09750 1.00000
Li7 Li 0.75000 0.50000 0.50000 1.00000
Li8 Li 0.13360 0.32629 0.90250 1.00000
Li9 Li 0.54011 0.09750 0.32629 1.00000
Li10 Li 0.96390 0.90250 0.67371 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.41334 0.79255 0.38077 1.00000
Cd2 Cd 0.79411 0.61923 0.79255 1.00000
Cd3 Cd 0.20589 0.38077 0.20745 1.00000
Cd4 Cd 0.58666 0.20745 0.61923 1.00000
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