Tl4Br3N2
Alexandria ALEXAlex-ID: agm005694898 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1156_spg15
TlBrN TlBr Tl
2023-06-30 21:01:00.662276
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694898).
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 agm005694898
data_agm005694898
_cell_length_a 14.35796
_cell_length_b 10.16585
_cell_length_c 10.16575
_cell_angle_alpha 54.79904
_cell_angle_beta 48.08307
_cell_angle_gamma 48.08321
_cell_volume 798.57146
_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
Tl1 Tl 0.32239 0.90903 0.30575 1.00000
Tl2 Tl 0.17759 0.69425 0.09098 1.00000
Tl3 Tl 0.67761 0.09097 0.69425 1.00000
Tl4 Tl 0.82241 0.30575 0.90902 1.00000
Tl5 Tl 0.05706 0.33433 0.40726 1.00000
Tl6 Tl 0.44294 0.59274 0.66568 1.00000
Tl7 Tl 0.94294 0.66567 0.59274 1.00000
Tl8 Tl 0.55706 0.40726 0.33432 1.00000
Br1 Br 0.85560 0.00748 0.29412 1.00000
Br2 Br 0.64439 0.70588 0.99252 1.00000
Br3 Br 0.14440 0.99252 0.70588 1.00000
Br4 Br 0.35561 0.29412 0.00748 1.00000
Br5 Br 0.25000 0.63715 0.36285 1.00000
Br6 Br 0.75000 0.36285 0.63715 1.00000
N1 N 0.49374 0.05101 0.51492 1.00000
N2 N 0.00627 0.48508 0.94899 1.00000
N3 N 0.50626 0.94899 0.48508 1.00000
N4 N 0.99373 0.51492 0.05101 1.00000
Get direct link