Tb2YAu3
Alexandria ALEXAlex-ID: agm035189342 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
YAu TbAu
2024-12-30 06:57:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm035189342).
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 agm035189342
data_agm035189342
_cell_length_a 5.86837
_cell_length_b 7.45615
_cell_length_c 14.63188
_cell_angle_alpha 104.80433
_cell_angle_beta 85.22413
_cell_angle_gamma 109.71937
_cell_volume 582.67049
_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 0.77718 0.44695 0.74997 1.00000
Tb2 Tb 0.22225 0.38633 0.91662 1.00000
Tb3 Tb 0.77775 0.61367 0.08338 1.00000
Tb4 Tb 0.22282 0.55305 0.25003 1.00000
Tb5 Tb 0.22322 0.05331 0.24971 1.00000
Tb6 Tb 0.77750 0.78035 0.41712 1.00000
Tb7 Tb 0.22250 0.21965 0.58288 1.00000
Tb8 Tb 0.77678 0.94669 0.75029 1.00000
Y1 Y 0.22249 0.88645 0.91675 1.00000
Y2 Y 0.77751 0.11355 0.08325 1.00000
Y3 Y 0.77769 0.28054 0.41672 1.00000
Y4 Y 0.22231 0.71946 0.58328 1.00000
Au1 Au 0.67650 0.25395 0.91677 1.00000
Au2 Au 0.67632 0.75301 0.91674 1.00000
Au3 Au 0.32350 0.74605 0.08323 1.00000
Au4 Au 0.32368 0.24699 0.08326 1.00000
Au5 Au 0.67634 0.42048 0.25020 1.00000
Au6 Au 0.67630 0.92002 0.25013 1.00000
Au7 Au 0.32365 0.41323 0.41639 1.00000
Au8 Au 0.32350 0.91284 0.41645 1.00000
Au9 Au 0.67635 0.58677 0.58361 1.00000
Au10 Au 0.67650 0.08716 0.58355 1.00000
Au11 Au 0.32366 0.57952 0.74980 1.00000
Au12 Au 0.32370 0.07998 0.74987 1.00000
