Ti4CuIr5
Alexandria ALEXAlex-ID: agm012898538 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_34_spg71
Ti9Ir11 Ti3Ir5 Cu
2024-11-01 10:45:35.856242
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012898538).
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 agm012898538
data_agm012898538
_cell_length_a 7.43933
_cell_length_b 7.43933
_cell_length_c 5.29930
_cell_angle_alpha 71.16991
_cell_angle_beta 71.16991
_cell_angle_gamma 32.59047
_cell_volume 148.77144
_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 0.30278 0.30278 0.12689 1.00000
Ti2 Ti 0.91501 0.91501 0.33949 1.00000
Ti3 Ti 0.69722 0.69722 0.87311 1.00000
Ti4 Ti 0.08499 0.08499 0.66051 1.00000
Cu1 Cu 0.50000 0.50000 0.00000 1.00000
Ir1 Ir 0.70177 0.70177 0.38795 1.00000
Ir2 Ir 0.88312 0.88312 0.86726 1.00000
Ir3 Ir 0.11688 0.11688 0.13274 1.00000
Ir4 Ir 0.50000 0.50000 0.50000 1.00000
Ir5 Ir 0.29823 0.29823 0.61205 1.00000
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