TbPr2Y3
Alexandria ALEXAlex-ID: agm017155572 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1770_spg63
Tb5Pr3 PrY2 Tb5Pr
2025-04-14 14:31:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017155572).
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
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# CIF generated by HEAS from Alexandria entry agm017155572
data_agm017155572
_cell_length_a 9.57884
_cell_length_b 9.57884
_cell_length_c 6.25252
_cell_angle_alpha 89.58745
_cell_angle_beta 90.41255
_cell_angle_gamma 135.51985
_cell_volume 401.95423
_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 0.87574 0.87574 0.25000 1.00000
Tb2 Tb 0.12426 0.12426 0.75000 1.00000
Pr1 Pr 0.79104 0.45978 0.41595 1.00000
Pr2 Pr 0.54022 0.20896 0.91595 1.00000
Pr3 Pr 0.45978 0.79104 0.08405 1.00000
Pr4 Pr 0.20896 0.54022 0.58405 1.00000
Y1 Y 0.62621 0.62621 0.75000 1.00000
Y2 Y 0.37379 0.37379 0.25000 1.00000
Y3 Y 0.04094 0.71074 0.91821 1.00000
Y4 Y 0.71074 0.04094 0.58179 1.00000
Y5 Y 0.28926 0.95906 0.41821 1.00000
Y6 Y 0.95906 0.28926 0.08179 1.00000
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