La3PrAg7
Alexandria ALEXAlex-ID: agm005998701 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_168_spg63
LaAg2 PrAg
2023-08-11 10:52:34.332546
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005998701).
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 agm005998701
data_agm005998701
_cell_length_a 3.93089
_cell_length_b 10.75627
_cell_length_c 14.26763
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 100.52855
_cell_volume 593.10325
_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 0.12181 0.24362 0.46905 1.00000
La2 La 0.87819 0.75638 0.53095 1.00000
La3 La 0.22921 0.45842 0.75000 1.00000
La4 La 0.77079 0.54158 0.25000 1.00000
La5 La 0.12181 0.24362 0.03095 1.00000
La6 La 0.87819 0.75638 0.96905 1.00000
Pr1 Pr 0.98785 0.97570 0.25000 1.00000
Pr2 Pr 0.01215 0.02430 0.75000 1.00000
Ag1 Ag 0.39137 0.78274 0.75000 1.00000
Ag2 Ag 0.60863 0.21726 0.25000 1.00000
Ag3 Ag 0.51196 0.02392 0.40841 1.00000
Ag4 Ag 0.48804 0.97608 0.59159 1.00000
Ag5 Ag 0.48804 0.97608 0.90841 1.00000
Ag6 Ag 0.51196 0.02392 0.09159 1.00000
Ag7 Ag 0.38402 0.76805 0.34774 1.00000
Ag8 Ag 0.61598 0.23195 0.65226 1.00000
Ag9 Ag 0.26868 0.53736 0.43532 1.00000
Ag10 Ag 0.73132 0.46264 0.56468 1.00000
Ag11 Ag 0.73132 0.46264 0.93532 1.00000
Ag12 Ag 0.26868 0.53736 0.06468 1.00000
Ag13 Ag 0.38402 0.76805 0.15226 1.00000
Ag14 Ag 0.61598 0.23195 0.84774 1.00000
