TbPrY3
Alexandria ALEXAlex-ID: agm003705355 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4878_spg15
TbPrY4 Tb5Y PrY2
2022-04-18 03:54:54.886211
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003705355).
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 agm003705355
data_agm003705355
_cell_length_a 9.86417
_cell_length_b 8.80514
_cell_length_c 8.80514
_cell_angle_alpha 117.71757
_cell_angle_beta 95.24283
_cell_angle_gamma 95.24283
_cell_volume 666.36507
_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 0.75000 0.40546 0.59454 1.00000
Tb2 Tb 0.25000 0.01700 0.98300 1.00000
Tb3 Tb 0.75000 0.98300 0.01700 1.00000
Tb4 Tb 0.25000 0.59454 0.40546 1.00000
Pr1 Pr 0.54390 0.29076 0.19164 1.00000
Pr2 Pr 0.04390 0.19164 0.29076 1.00000
Pr3 Pr 0.95610 0.80836 0.70924 1.00000
Pr4 Pr 0.45610 0.70924 0.80836 1.00000
Y1 Y 0.38204 0.29611 0.50428 1.00000
Y2 Y 0.55691 0.12187 0.74304 1.00000
Y3 Y 0.88204 0.50428 0.29611 1.00000
Y4 Y 0.11796 0.49572 0.70389 1.00000
Y5 Y 0.81358 0.97910 0.42304 1.00000
Y6 Y 0.05691 0.74304 0.12187 1.00000
Y7 Y 0.61796 0.70389 0.49572 1.00000
Y8 Y 0.94309 0.25696 0.87813 1.00000
Y9 Y 0.44309 0.87813 0.25696 1.00000
Y10 Y 0.31358 0.42304 0.97910 1.00000
Y11 Y 0.18642 0.02090 0.57696 1.00000
Y12 Y 0.68642 0.57696 0.02090 1.00000
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