AcTlIr
Alexandria ALEXAlex-ID: agm005666496 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_56_spg63
AcTl3 AcIr2 AcIr
2023-06-17 17:02:56.652223
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666496).
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 agm005666496
data_agm005666496
_cell_length_a 4.29230
_cell_length_b 4.23482
_cell_length_c 9.27441
_cell_angle_alpha 103.19738
_cell_angle_beta 90.00001
_cell_angle_gamma 90.00000
_cell_volume 164.12933
_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
Ac1 Ac 0.25000 0.90817 0.81635 1.00000
Ac2 Ac 0.75000 0.09183 0.18365 1.00000
Tl1 Tl 0.75000 0.29149 0.58298 1.00000
Tl2 Tl 0.25000 0.70851 0.41702 1.00000
Ir1 Ir 0.25000 0.55021 0.10042 1.00000
Ir2 Ir 0.75000 0.44979 0.89958 1.00000
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