Ti2FeSb2Pd
Alexandria ALEXAlex-ID: agm012352452 · Space group: R3m (#160)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2_40_spg160
Ti2FeSb2Pd
2025-01-29 16:36:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012352452).
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 agm012352452
data_agm012352452
_cell_length_a 7.38707
_cell_length_b 7.38707
_cell_length_c 7.38707
_cell_angle_alpha 33.78737
_cell_angle_beta 33.78737
_cell_angle_gamma 33.78737
_cell_volume 111.08329
_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
Ti1 Ti 0.36993 0.36993 0.36993 1.00000
Ti2 Ti 0.88320 0.88320 0.88320 1.00000
Fe1 Fe 0.99625 0.99625 0.99625 1.00000
Sb1 Sb 0.11944 0.11944 0.11944 1.00000
Sb2 Sb 0.63108 0.63108 0.63108 1.00000
Pd1 Pd 0.50230 0.50230 0.50230 1.00000
