La2Pr3Ga4
Alexandria ALEXAlex-ID: agm005683205 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_99_spg14
La5Ga3 Pr5Ga3 PrGa
2023-06-27 02:01:23.195022
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005683205).
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 agm005683205
data_agm005683205
_cell_length_a 7.72590
_cell_length_b 8.36270
_cell_length_c 8.32414
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 105.74527
_cell_volume 517.63711
_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
La1 La 0.57162 0.18818 0.31725 1.00000
La2 La 0.92838 0.81182 0.81725 1.00000
La3 La 0.42838 0.81182 0.68275 1.00000
La4 La 0.07162 0.18818 0.18275 1.00000
Pr1 Pr 0.00000 0.50000 0.50000 1.00000
Pr2 Pr 0.50000 0.50000 0.00000 1.00000
Pr3 Pr 0.75260 0.23633 0.82354 1.00000
Pr4 Pr 0.74740 0.76367 0.32354 1.00000
Pr5 Pr 0.24740 0.76367 0.17646 1.00000
Pr6 Pr 0.25260 0.23633 0.67646 1.00000
Ga1 Ga 0.86996 0.07798 0.53014 1.00000
Ga2 Ga 0.63004 0.92202 0.03014 1.00000
Ga3 Ga 0.13004 0.92202 0.46986 1.00000
Ga4 Ga 0.36996 0.07798 0.96986 1.00000
Ga5 Ga 0.88366 0.48965 0.11956 1.00000
Ga6 Ga 0.61634 0.51035 0.61956 1.00000
Ga7 Ga 0.11634 0.51035 0.88044 1.00000
Ga8 Ga 0.38366 0.48965 0.38044 1.00000
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