Li4Tl5Cd2
Alexandria ALEXAlex-ID: agm005674877 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_162_spg71
Li2TlCd Tl
2023-06-22 00:51:02.316843
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674877).
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 agm005674877
data_agm005674877
_cell_length_a 4.20803
_cell_length_b 6.54416
_cell_length_c 10.08008
_cell_angle_alpha 101.40853
_cell_angle_beta 101.95111
_cell_angle_gamma 90.52269
_cell_volume 265.83966
_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 0.27876 0.17323 0.55478 1.00000
Li2 Li 0.97502 0.70552 0.95216 1.00000
Li3 Li 0.72124 0.82677 0.44522 1.00000
Li4 Li 0.02498 0.29448 0.04784 1.00000
Tl1 Tl 0.82285 0.52450 0.64016 1.00000
Tl2 Tl 0.17715 0.47550 0.35984 1.00000
Tl3 Tl 0.86633 0.03212 0.73834 1.00000
Tl4 Tl 0.50000 0.00000 0.00000 1.00000
Tl5 Tl 0.13367 0.96788 0.26166 1.00000
Cd1 Cd 0.42224 0.40381 0.84994 1.00000
Cd2 Cd 0.57776 0.59619 0.15006 1.00000
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