Pr2Y3Th2
Alexandria ALEXAlex-ID: agm005552809 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_507_spg12
Y2Th3 Pr PrY2
2023-06-12 08:31:43.825880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005552809).
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 agm005552809
data_agm005552809
_cell_length_a 3.61754
_cell_length_b 6.27637
_cell_length_c 11.37175
_cell_angle_alpha 89.90333
_cell_angle_beta 71.45263
_cell_angle_gamma 106.72975
_cell_volume 233.18447
_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 0.56306 0.43055 0.15230 1.00000
Pr2 Pr 0.43694 0.56945 0.84770 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.70605 0.28297 0.43546 1.00000
Y3 Y 0.29395 0.71703 0.56454 1.00000
Th1 Th 0.85020 0.13304 0.71603 1.00000
Th2 Th 0.14980 0.86696 0.28397 1.00000
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