TbPdAu4
Alexandria ALEXAlex-ID: agm070280327 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_12_spg216
PdAu3 Tb14Au51 Tb2Pd5Au
2025-04-16 17:16:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070280327).
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 agm070280327
data_agm070280327
_cell_length_a 5.48833
_cell_length_b 5.46003
_cell_length_c 5.47523
_cell_angle_alpha 60.60346
_cell_angle_beta 60.02959
_cell_angle_gamma 60.25587
_cell_volume 116.78934
_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 0.53996 0.95719 0.37705 1.00000
Pd1 Pd 0.42102 0.32899 0.74714 1.00000
Au1 Au 0.92342 0.82949 0.75142 1.00000
Au2 Au 0.92455 0.32846 0.24845 1.00000
Au3 Au 0.91818 0.33407 0.74980 1.00000
Au4 Au 0.30032 0.70553 0.12276 1.00000
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