Tl2CdBr9
Alexandria ALEXAlex-ID: agm101215569 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C9_669_spg1
TlBr2 CdBr2 Br
2025-05-18 12:49:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101215569).
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 agm101215569
data_agm101215569
_cell_length_a 4.30020
_cell_length_b 11.13150
_cell_length_c 12.61255
_cell_angle_alpha 121.86094
_cell_angle_beta 98.67973
_cell_angle_gamma 79.11157
_cell_volume 502.58915
_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 0.04588 0.37244 0.71348 1.00000
Tl2 Tl 0.83389 0.60460 0.44873 1.00000
Cd1 Cd 0.38507 0.18102 0.07957 1.00000
Br1 Br 0.51341 0.04618 0.20656 1.00000
Br2 Br 0.61410 0.17476 0.62151 1.00000
Br3 Br 0.15743 0.45078 0.94531 1.00000
Br4 Br 0.85492 0.11327 0.93705 1.00000
Br5 Br 0.28742 0.80738 0.56679 1.00000
Br6 Br 0.31336 0.46536 0.23782 1.00000
Br7 Br 0.51293 0.81572 0.98921 1.00000
Br8 Br 0.98752 0.36423 0.48871 1.00000
Br9 Br 0.49408 0.60426 0.76526 1.00000
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