Li2Y3Cd7
Alexandria ALEXAlex-ID: agm024986700 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
YCd2 YCd LiCd
2025-05-16 20:54:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024986700).
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 agm024986700
data_agm024986700
_cell_length_a 9.82704
_cell_length_b 9.82704
_cell_length_c 9.82704
_cell_angle_alpha 34.70793
_cell_angle_beta 34.70793
_cell_angle_gamma 34.70793
_cell_volume 274.58138
_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 0.33336 0.33336 0.33336 1.00000
Li2 Li 0.66664 0.66664 0.66664 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.13755 0.13755 0.13755 1.00000
Y3 Y 0.86245 0.86245 0.86245 1.00000
Cd1 Cd 0.50000 0.50000 0.50000 1.00000
Cd2 Cd 0.07545 0.58178 0.58178 1.00000
Cd3 Cd 0.58178 0.58178 0.07545 1.00000
Cd4 Cd 0.58178 0.07545 0.58178 1.00000
Cd5 Cd 0.92455 0.41822 0.41822 1.00000
Cd6 Cd 0.41822 0.92455 0.41822 1.00000
Cd7 Cd 0.41822 0.41822 0.92455 1.00000
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