Ti4SnPd
Alexandria ALEXAlex-ID: agm003733482 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1161_spg15
Ti2Sn Ti2Pd
2022-04-19 07:30:21.582799
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733482).
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 agm003733482
data_agm003733482
_cell_length_a 5.08344
_cell_length_b 6.43323
_cell_length_c 7.52243
_cell_angle_alpha 100.56521
_cell_angle_beta 109.74807
_cell_angle_gamma 89.94379
_cell_volume 227.11739
_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 0.53442 0.07156 0.85076 1.00000
Ti2 Ti 0.68376 0.42906 0.14955 1.00000
Ti3 Ti 0.46558 0.92844 0.14924 1.00000
Ti4 Ti 0.31624 0.57094 0.85045 1.00000
Ti5 Ti 0.98488 0.89044 0.66801 1.00000
Ti6 Ti 0.31641 0.61005 0.33221 1.00000
Ti7 Ti 0.01512 0.10956 0.33199 1.00000
Ti8 Ti 0.68359 0.38995 0.66779 1.00000
Sn1 Sn 0.89099 0.74986 0.99975 1.00000
Sn2 Sn 0.10901 0.25014 0.00025 1.00000
Pd1 Pd 0.50000 0.00000 0.50000 1.00000
Pd2 Pd 0.00000 0.50000 0.50000 1.00000
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