Pr2YP3
Alexandria ALEXAlex-ID: agm040347862 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2988_spg70
YP PrP
2025-04-15 08:08:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040347862).
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 agm040347862
data_agm040347862
_cell_length_a 13.73204
_cell_length_b 13.09702
_cell_length_c 7.17200
_cell_angle_alpha 79.44875
_cell_angle_beta 69.65725
_cell_angle_gamma 30.89399
_cell_volume 602.94156
_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
Pr1 Pr 0.99945 0.99945 0.50055 1.00000
Pr2 Pr 0.41708 0.41708 0.58292 1.00000
Pr3 Pr 0.83292 0.83292 0.66708 1.00000
Pr4 Pr 0.25055 0.25055 0.74945 1.00000
Pr5 Pr 0.74945 0.74945 0.25055 1.00000
Pr6 Pr 0.66708 0.66708 0.83292 1.00000
Pr7 Pr 0.58292 0.58292 0.41708 1.00000
Pr8 Pr 0.50055 0.50055 0.99945 1.00000
Y1 Y 0.91652 0.91652 0.08348 1.00000
Y2 Y 0.33348 0.33348 0.16652 1.00000
Y3 Y 0.16652 0.16652 0.33348 1.00000
Y4 Y 0.08348 0.08348 0.91652 1.00000
P1 P 0.66496 0.16543 0.84255 1.00000
P2 P 0.16543 0.66496 0.32705 1.00000
P3 P 0.58504 0.08457 0.40745 1.00000
P4 P 0.08457 0.58504 0.92295 1.00000
P5 P 0.49186 0.00814 0.00814 1.00000
P6 P 0.00814 0.49186 0.49186 1.00000
P7 P 0.92295 0.40745 0.08457 1.00000
P8 P 0.40745 0.92295 0.58504 1.00000
P9 P 0.32705 0.84255 0.16543 1.00000
P10 P 0.84255 0.32705 0.66496 1.00000
P11 P 0.75814 0.24186 0.24186 1.00000
P12 P 0.24186 0.75814 0.75814 1.00000
