Tb2Pr8Y3
Alexandria ALEXAlex-ID: agm005599201 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_631_spg14
Tb5Pr3 PrY2 Pr
2023-06-17 02:26:35.981588
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005599201).
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 agm005599201
data_agm005599201
_cell_length_a 13.36001
_cell_length_b 8.38636
_cell_length_c 22.18795
_cell_angle_alpha 89.99997
_cell_angle_beta 90.00004
_cell_angle_gamma 158.61910
_cell_volume 906.30378
_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
Tb1 Tb 0.28992 0.82643 0.03662 1.00000
Tb2 Tb 0.21008 0.17357 0.53662 1.00000
Tb3 Tb 0.78992 0.82643 0.46338 1.00000
Tb4 Tb 0.71008 0.17357 0.96338 1.00000
Pr1 Pr 0.58734 0.69470 0.08394 1.00000
Pr2 Pr 0.41590 0.57514 0.38995 1.00000
Pr3 Pr 0.53163 0.84087 0.81118 1.00000
Pr4 Pr 0.86094 0.68462 0.84493 1.00000
Pr5 Pr 0.96837 0.15913 0.31118 1.00000
Pr6 Pr 0.63906 0.31538 0.34493 1.00000
Pr7 Pr 0.08734 0.69470 0.41606 1.00000
Pr8 Pr 0.08410 0.42486 0.88995 1.00000
Pr9 Pr 0.91590 0.57514 0.11005 1.00000
Pr10 Pr 0.91266 0.30530 0.58394 1.00000
Pr11 Pr 0.46837 0.15913 0.18882 1.00000
Pr12 Pr 0.03163 0.84087 0.68882 1.00000
Pr13 Pr 0.13906 0.31538 0.15507 1.00000
Pr14 Pr 0.36094 0.68462 0.65507 1.00000
Pr15 Pr 0.58410 0.42486 0.61005 1.00000
Pr16 Pr 0.41266 0.30530 0.91606 1.00000
Y1 Y 0.23269 0.10927 0.26575 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.26731 0.89073 0.76575 1.00000
Y4 Y 0.73269 0.10927 0.23425 1.00000
Y5 Y 0.00000 0.00000 0.00000 1.00000
Y6 Y 0.76731 0.89073 0.73425 1.00000
