Li4PrCd8
Alexandria ALEXAlex-ID: agm003671890 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_2_spg139
Li2PrCd4 Pr11Cd45 LiCd
2022-04-20 21:57:45.160140
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003671890).
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 agm003671890
data_agm003671890
_cell_length_a 5.29676
_cell_length_b 7.59293
_cell_length_c 7.59293
_cell_angle_alpha 83.01218
_cell_angle_beta 69.58634
_cell_angle_gamma 69.58634
_cell_volume 268.22075
_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 0.00000 0.00000 0.50000 1.00000
Li2 Li 0.50000 0.00000 0.50000 1.00000
Li3 Li 0.00000 0.50000 0.00000 1.00000
Li4 Li 0.50000 0.50000 0.00000 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.00000 0.34998 0.65002 1.00000
Cd2 Cd 1.00000 0.65002 0.34998 1.00000
Cd3 Cd 0.34998 0.65002 0.65002 1.00000
Cd4 Cd 0.65002 0.34998 0.34998 1.00000
Cd5 Cd 0.50000 0.78586 0.21414 1.00000
Cd6 Cd 0.50000 0.21414 0.78586 1.00000
Cd7 Cd 0.28586 0.21414 0.21414 1.00000
Cd8 Cd 0.71414 0.78586 0.78586 1.00000
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