HfTi4Ir
Alexandria ALEXAlex-ID: agm005773549 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1206_spg12
Ti4Ir Hf2Ti3Ir Ti
2023-07-31 13:32:20.188014
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773549).
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 agm005773549
data_agm005773549
_cell_length_a 4.54453
_cell_length_b 5.39619
_cell_length_c 5.48008
_cell_angle_alpha 61.26052
_cell_angle_beta 65.50329
_cell_angle_gamma 65.09678
_cell_volume 103.00434
_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
Hf1 Hf 0.00000 0.50000 0.50000 1.00000
Ti1 Ti 0.65694 0.00448 0.68163 1.00000
Ti2 Ti 0.34306 0.99552 0.31837 1.00000
Ti3 Ti 0.69857 0.44943 0.15344 1.00000
Ti4 Ti 0.30143 0.55057 0.84656 1.00000
Ir1 Ir 0.00000 0.00000 0.00000 1.00000
