Li4PrGe4
Alexandria ALEXAlex-ID: agm003595239 · Space group: P4_2/nmc (#137)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4_204_spg137
Li2Ge LiPrGe2 LiGe
2022-04-04 22:03:28.974693
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003595239).
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 agm003595239
data_agm003595239
_cell_length_a 6.16856
_cell_length_b 6.16856
_cell_length_c 8.74433
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 332.73229
_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 0.24313 0.50000 0.90533 1.00000
Li2 Li 0.75687 0.50000 0.90533 1.00000
Li3 Li 0.50000 0.75687 0.09467 1.00000
Li4 Li 0.50000 0.24313 0.09467 1.00000
Li5 Li 0.00000 0.74313 0.40533 1.00000
Li6 Li 0.00000 0.25687 0.40533 1.00000
Li7 Li 0.25687 0.00000 0.59467 1.00000
Li8 Li 0.74313 0.00000 0.59467 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.50000 0.79938 0.79590 1.00000
Ge2 Ge 0.50000 0.20062 0.79590 1.00000
Ge3 Ge 0.79938 0.50000 0.20410 1.00000
Ge4 Ge 0.20062 0.50000 0.20410 1.00000
Ge5 Ge 0.29938 0.00000 0.29590 1.00000
Ge6 Ge 0.70062 0.00000 0.29590 1.00000
Ge7 Ge 0.00000 0.29938 0.70410 1.00000
Ge8 Ge 0.00000 0.70062 0.70410 1.00000
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