Ti8Zn4Ag
Alexandria ALEXAlex-ID: agm097514697 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1720_spg8
Ti2Zn Ti3Zn2 TiAg
2025-06-19 18:56:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097514697).
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 agm097514697
data_agm097514697
_cell_length_a 3.03448
_cell_length_b 9.84435
_cell_length_c 7.18484
_cell_angle_alpha 89.35219
_cell_angle_beta 90.00175
_cell_angle_gamma 81.14379
_cell_volume 212.05621
_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 0.56775 0.17231 0.06805 1.00000
Ti2 Ti 0.34981 0.60782 0.25743 1.00000
Ti3 Ti 0.27509 0.75767 0.60984 1.00000
Ti4 Ti 0.65353 0.00078 0.65835 1.00000
Ti5 Ti 0.73024 0.84759 0.30428 1.00000
Ti6 Ti 0.50240 0.30246 0.46038 1.00000
Ti7 Ti 0.42403 0.45952 0.86627 1.00000
Ti8 Ti 0.80833 0.69089 0.94414 1.00000
Zn1 Zn 0.03885 0.22967 0.76090 1.00000
Zn2 Zn 0.95938 0.38905 0.16598 1.00000
Zn3 Zn 0.89203 0.52359 0.56599 1.00000
Zn4 Zn 0.11368 0.08073 0.35827 1.00000
Ag1 Ag 0.18486 0.93792 0.98012 1.00000
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