TiZnW
Alexandria ALEXAlex-ID: agm005692992 · Space group: P4/nmm (#129)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_260_spg129
TiZn2 TiZn TiW4
2023-06-19 13:23:11.503255
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692992).
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
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# CIF generated by HEAS from Alexandria entry agm005692992
data_agm005692992
_cell_length_a 3.15056
_cell_length_b 3.15010
_cell_length_c 9.67689
_cell_angle_alpha 89.99749
_cell_angle_beta 90.00359
_cell_angle_gamma 89.99990
_cell_volume 96.03904
_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 0.87237 0.29108 0.51152 1.00000
Ti2 Ti 0.37249 0.79115 0.00078 1.00000
Zn1 Zn 0.87246 0.29112 0.18233 1.00000
Zn2 Zn 0.37240 0.79111 0.32998 1.00000
W1 W 0.87247 0.29112 0.83673 1.00000
W2 W 0.37238 0.79111 0.67557 1.00000
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