Y8Tl2Ir
Alexandria ALEXAlex-ID: agm003528079 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_277_spg12
Y5Tl2Ir Y
2022-03-18 14:39:10.864236
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003528079).
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 agm003528079
data_agm003528079
_cell_length_a 5.10195
_cell_length_b 6.71808
_cell_length_c 9.89839
_cell_angle_alpha 105.11539
_cell_angle_beta 104.93460
_cell_angle_gamma 90.00000
_cell_volume 315.64670
_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
Y1 Y 0.41241 0.55583 0.82482 1.00000
Y2 Y 0.64645 0.98549 0.29290 1.00000
Y3 Y 0.78787 0.67986 0.57573 1.00000
Y4 Y 0.97929 0.21299 0.95858 1.00000
Y5 Y 0.21213 0.32014 0.42427 1.00000
Y6 Y 0.35355 0.01451 0.70710 1.00000
Y7 Y 0.58759 0.44417 0.17518 1.00000
Y8 Y 0.02071 0.78701 0.04142 1.00000
Tl1 Tl 0.81815 0.25033 0.63629 1.00000
Tl2 Tl 0.18185 0.74967 0.36371 1.00000
Ir1 Ir 0.50000 0.00000 0.00000 1.00000
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