La5Tb5Y2
Alexandria ALEXAlex-ID: agm005647774 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_18_spg12
LaTb La3Tb5 LaY2
2023-06-19 13:31:20.174830
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647774).
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 agm005647774
data_agm005647774
_cell_length_a 5.15381
_cell_length_b 10.87553
_cell_length_c 8.17836
_cell_angle_alpha 98.77471
_cell_angle_beta 71.63387
_cell_angle_gamma 76.29369
_cell_volume 409.62788
_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
La1 La 0.66701 0.25126 0.41471 1.00000
La2 La 0.99783 0.25066 0.75367 1.00000
La3 La 0.00217 0.74934 0.24633 1.00000
La4 La 0.33299 0.74874 0.58529 1.00000
La5 La 0.00000 0.00000 0.00000 1.00000
Tb1 Tb 0.00000 0.50000 0.50000 1.00000
Tb2 Tb 0.66852 0.74707 0.91588 1.00000
Tb3 Tb 0.33287 0.99982 0.33443 1.00000
Tb4 Tb 0.66713 0.00018 0.66557 1.00000
Tb5 Tb 0.33148 0.25293 0.08412 1.00000
Y1 Y 0.33256 0.50086 0.83402 1.00000
Y2 Y 0.66744 0.49914 0.16598 1.00000
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