Ti4Nb2Zn5
Alexandria ALEXAlex-ID: agm005674692 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_175_spg12
TiNb17 Nb6Zn7 TiZn
2023-06-22 17:14:21.170994
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674692).
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 agm005674692
data_agm005674692
_cell_length_a 2.74413
_cell_length_b 6.83123
_cell_length_c 10.02388
_cell_angle_alpha 94.80318
_cell_angle_beta 97.86731
_cell_angle_gamma 90.00003
_cell_volume 185.47038
_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 0.27379 0.16407 0.54758 1.00000
Ti2 Ti 0.95555 0.63983 0.91110 1.00000
Ti3 Ti 0.72621 0.83593 0.45242 1.00000
Ti4 Ti 0.04445 0.36017 0.08890 1.00000
Nb1 Nb 0.40995 0.29651 0.81989 1.00000
Nb2 Nb 0.59005 0.70349 0.18011 1.00000
Zn1 Zn 0.81523 0.53300 0.63045 1.00000
Zn2 Zn 0.18477 0.46700 0.36955 1.00000
Zn3 Zn 0.86361 0.92734 0.72721 1.00000
Zn4 Zn 0.50000 0.00000 0.00000 1.00000
Zn5 Zn 0.13639 0.07266 0.27279 1.00000
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