Ti8Fe2Sb4Pd
Alexandria ALEXAlex-ID: agm020195259 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D8_128_spg121
Ti5Sb3 Ti10Sb5Pd Ti2FeSb2Pd TiFe
2024-11-13 22:16:42.682453
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020195259).
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 agm020195259
data_agm020195259
_cell_length_a 7.73776
_cell_length_b 7.73776
_cell_length_c 7.73776
_cell_angle_alpha 96.02670
_cell_angle_beta 96.02670
_cell_angle_gamma 142.18704
_cell_volume 268.70802
_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 0.95127 0.17694 0.61981 1.00000
Ti2 Ti 0.55713 0.33145 0.38019 1.00000
Ti3 Ti 0.04873 0.66855 0.22567 1.00000
Ti4 Ti 0.44287 0.82306 0.77433 1.00000
Ti5 Ti 0.82306 0.44287 0.77433 1.00000
Ti6 Ti 0.66855 0.04873 0.22567 1.00000
Ti7 Ti 0.33145 0.55713 0.38019 1.00000
Ti8 Ti 0.17694 0.95127 0.61981 1.00000
Fe1 Fe 0.00000 0.50000 0.50000 1.00000
Fe2 Fe 0.50000 0.00000 0.50000 1.00000
Sb1 Sb 0.36864 0.06553 0.00000 1.00000
Sb2 Sb 0.06553 0.36864 0.00000 1.00000
Sb3 Sb 0.63136 0.63136 0.69689 1.00000
Sb4 Sb 0.93447 0.93447 0.30311 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
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