Tb4Y5
Alexandria ALEXAlex-ID: agm032167442 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_447_spg2
Tb2Y7 Tb5Y
2024-12-04 17:26:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm032167442).
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 agm032167442
data_agm032167442
_cell_length_a 9.52898
_cell_length_b 9.52898
_cell_length_c 9.55285
_cell_angle_alpha 64.67847
_cell_angle_beta 115.32153
_cell_angle_gamma 158.24627
_cell_volume 289.38817
_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 0.33321 0.66679 0.50130 1.00000
Tb2 Tb 0.66679 0.33321 0.49870 1.00000
Tb3 Tb 0.85156 0.14844 0.83292 1.00000
Tb4 Tb 0.14844 0.85156 0.16708 1.00000
Y1 Y 0.81437 0.18563 0.16681 1.00000
Y2 Y 0.18563 0.81437 0.83319 1.00000
Y3 Y 0.51898 0.48102 0.83499 1.00000
Y4 Y 0.48102 0.51898 0.16501 1.00000
Y5 Y 0.00000 0.00000 0.50000 1.00000
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