TaZnIr
Alexandria ALEXAlex-ID: agm005644357 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8_spg63
Zn41Ir8 TaZnIr2 Ta3Ir
2023-06-18 14:54:14.586705
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644357).
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 agm005644357
data_agm005644357
_cell_length_a 4.29162
_cell_length_b 4.86535
_cell_length_c 5.13582
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 116.17017
_cell_volume 96.24400
_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
Ta1 Ta 0.21062 0.42123 0.75000 1.00000
Ta2 Ta 0.78938 0.57877 0.25000 1.00000
Zn1 Zn 0.50000 0.00000 0.50000 1.00000
Zn2 Zn 0.50000 0.00000 0.00000 1.00000
Ir1 Ir 0.11300 0.22601 0.25000 1.00000
Ir2 Ir 0.88700 0.77399 0.75000 1.00000
