Th4FePd
Alexandria ALEXAlex-ID: agm013301573 · Space group: I422 (#97)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_20_spg216
Th2Pd Th7Fe3 ThPd
2024-05-29 01:37:57.854484
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013301573).
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 agm013301573
data_agm013301573
_cell_length_a 5.87376
_cell_length_b 5.87376
_cell_length_c 5.87376
_cell_angle_alpha 104.85079
_cell_angle_beta 104.85079
_cell_angle_gamma 119.16947
_cell_volume 152.59887
_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
Th1 Th 0.58325 0.08325 0.16650 1.00000
Th2 Th 0.91675 0.41675 0.83350 1.00000
Th3 Th 0.41675 0.58325 0.50000 1.00000
Th4 Th 0.08325 0.91675 0.50000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
