CsTmCdBr6
Alexandria ALEXAlex-ID: agm064458790 · Space group: P-31c (#163)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_32_spg182
Cs3Tm2Br9 TmBr3 CdBr2
2024-12-25 18:44:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064458790).
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 agm064458790
data_agm064458790
_cell_length_a 7.30871
_cell_length_b 7.30871
_cell_length_c 16.13722
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 746.51870
_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
Cs1 Cs 0.00000 0.00000 0.00000 1.00000
Cs2 Cs 0.00000 0.00000 0.50000 1.00000
Tm1 Tm 0.33333 0.66667 0.25000 1.00000
Tm2 Tm 0.66667 0.33333 0.75000 1.00000
Cd1 Cd 0.66667 0.33333 0.25000 1.00000
Cd2 Cd 0.33333 0.66667 0.75000 1.00000
Br1 Br 0.61747 0.62173 0.14914 1.00000
Br2 Br 0.00426 0.38253 0.14914 1.00000
Br3 Br 0.38253 0.00426 0.64914 1.00000
Br4 Br 0.99574 0.61747 0.85086 1.00000
Br5 Br 0.37827 0.38253 0.35086 1.00000
Br6 Br 0.00426 0.62173 0.35086 1.00000
Br7 Br 0.62173 0.00426 0.85086 1.00000
Br8 Br 0.61747 0.99574 0.35086 1.00000
Br9 Br 0.99574 0.37827 0.64914 1.00000
Br10 Br 0.37827 0.99574 0.14914 1.00000
Br11 Br 0.62173 0.61747 0.64914 1.00000
Br12 Br 0.38253 0.37827 0.85086 1.00000
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