Ta3(AlIr)4
Alexandria ALEXAlex-ID: agm009868898 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
Ta3Ir Ta2Al3Ir TaAl4Ir5
2024-03-22 06:03:45.229215
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009868898).
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 agm009868898
data_agm009868898
_cell_length_a 13.71158
_cell_length_b 13.71158
_cell_length_c 13.71158
_cell_angle_alpha 167.98040
_cell_angle_beta 161.43262
_cell_angle_gamma 22.17638
_cell_volume 170.91292
_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 0.63915 0.13915 0.50000 1.00000
Ta2 Ta 0.36085 0.86085 0.50000 1.00000
Ta3 Ta 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.18747 0.68747 0.50000 1.00000
Al2 Al 0.54685 0.54685 0.00000 1.00000
Al3 Al 0.45315 0.45315 0.00000 1.00000
Al4 Al 0.81253 0.31253 0.50000 1.00000
Ir1 Ir 0.72966 0.72966 0.00000 1.00000
Ir2 Ir 0.90523 0.40523 0.50000 1.00000
Ir3 Ir 0.09477 0.59477 0.50000 1.00000
Ir4 Ir 0.27034 0.27034 0.00000 1.00000
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