Li3Pm3Cu8
Alexandria ALEXAlex-ID: agm005689290 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
LiPmCu4 PmCu2 Li
2023-06-29 10:19:15.453911
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689290).
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 agm005689290
data_agm005689290
_cell_length_a 4.35345
_cell_length_b 8.12126
_cell_length_c 8.12126
_cell_angle_alpha 64.36949
_cell_angle_beta 74.45305
_cell_angle_gamma 74.45305
_cell_volume 245.55333
_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 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.79875 0.20125 1.00000
Li3 Li 1.00000 0.20125 0.79875 1.00000
Pm1 Pm 0.50000 0.50000 0.50000 1.00000
Pm2 Pm 0.78641 0.21359 0.21359 1.00000
Pm3 Pm 0.21359 0.78641 0.78641 1.00000
Cu1 Cu 0.63703 0.08095 0.64499 1.00000
Cu2 Cu 0.36297 0.91905 0.35501 1.00000
Cu3 Cu 0.63703 0.64499 0.08095 1.00000
Cu4 Cu 0.36297 0.35501 0.91905 1.00000
Cu5 Cu 0.83632 0.80926 0.51810 1.00000
Cu6 Cu 0.16368 0.19074 0.48190 1.00000
Cu7 Cu 0.83632 0.51810 0.80926 1.00000
Cu8 Cu 0.16368 0.48190 0.19074 1.00000
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