Pr(Y3Th)2
Alexandria ALEXAlex-ID: agm005643162 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1792_spg12
Y2Th PrY2
2023-07-10 14:58:30.962124
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643162).
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 agm005643162
data_agm005643162
_cell_length_a 3.62740
_cell_length_b 9.55575
_cell_length_c 8.95204
_cell_angle_alpha 76.94647
_cell_angle_beta 89.99996
_cell_angle_gamma 100.94122
_cell_volume 296.48922
_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 0.00000 0.00000 0.50000 1.00000
Y1 Y 0.07386 0.14771 0.83551 1.00000
Y2 Y 0.25817 0.51634 0.16528 1.00000
Y3 Y 0.74183 0.48366 0.83472 1.00000
Y4 Y 0.33257 0.66515 0.50038 1.00000
Y5 Y 0.66743 0.33485 0.49962 1.00000
Y6 Y 0.92614 0.85229 0.16449 1.00000
Th1 Th 0.40749 0.81498 0.83552 1.00000
Th2 Th 0.59251 0.18502 0.16448 1.00000
Get direct link