Sr8TlIr2
Alexandria ALEXAlex-ID: agm005999872 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_139_spg164
Sr3TlIr Sr4Ir SrTl
2023-09-30 06:12:48
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999872).
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 agm005999872
data_agm005999872
_cell_length_a 6.13529
_cell_length_b 9.92256
_cell_length_c 9.92287
_cell_angle_alpha 120.00647
_cell_angle_beta 90.00109
_cell_angle_gamma 90.00225
_cell_volume 523.11699
_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
Sr1 Sr 0.24645 0.66667 0.33328 1.00000
Sr2 Sr 0.75355 0.33333 0.66668 1.00000
Sr3 Sr 0.74337 0.82744 0.17036 1.00000
Sr4 Sr 0.25660 0.17037 0.34297 1.00000
Sr5 Sr 0.25666 0.65707 0.82740 1.00000
Sr6 Sr 0.25663 0.17257 0.82962 1.00000
Sr7 Sr 0.74340 0.82962 0.65701 1.00000
Sr8 Sr 0.74334 0.34293 0.17260 1.00000
Tl1 Tl 0.00000 0.00000 1.00000 1.00000
Ir1 Ir 0.24995 0.33334 0.66670 1.00000
Ir2 Ir 0.75005 0.66666 0.33329 1.00000
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