Ti5In2W
Alexandria ALEXAlex-ID: agm005961571 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_257_spg139
Ti2InW Ti3In
2023-09-05 13:52:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961571).
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 agm005961571
data_agm005961571
_cell_length_a 4.69114
_cell_length_b 4.69114
_cell_length_c 7.29417
_cell_angle_alpha 108.75775
_cell_angle_beta 108.75775
_cell_angle_gamma 90.00001
_cell_volume 142.96205
_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 0.50000 0.50000 0.00000 1.00000
Ti2 Ti 0.88873 0.38873 0.77746 1.00000
Ti3 Ti 0.38873 0.88873 0.77746 1.00000
Ti4 Ti 0.11127 0.61127 0.22254 1.00000
Ti5 Ti 0.61127 0.11127 0.22254 1.00000
In1 In 0.74957 0.74957 0.49913 1.00000
In2 In 0.25043 0.25043 0.50087 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
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