Rb5Tm2Se4IBr8
Alexandria ALEXAlex-ID: agm010914367 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D5E8_3_spg71
Tm2Se3 Rb3TmBr6 RbI Se
2024-03-08 00:15:26.393785
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010914367).
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
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# CIF generated by HEAS from Alexandria entry agm010914367
data_agm010914367
_cell_length_a 11.61578
_cell_length_b 11.61578
_cell_length_c 11.61578
_cell_angle_alpha 141.60838
_cell_angle_beta 125.68046
_cell_angle_gamma 68.46630
_cell_volume 777.90429
_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
Rb1 Rb 0.45222 0.17484 0.27738 1.00000
Rb2 Rb 0.54778 0.82516 0.72262 1.00000
Rb3 Rb 0.10254 0.82516 0.27738 1.00000
Rb4 Rb 0.89746 0.17484 0.72262 1.00000
Rb5 Rb 0.50000 0.50000 0.00000 1.00000
Tm1 Tm 0.88003 0.38003 0.50000 1.00000
Tm2 Tm 0.11997 0.61997 0.50000 1.00000
Se1 Se 0.10796 0.29947 0.40743 1.00000
Se2 Se 0.89204 0.29947 0.19152 1.00000
Se3 Se 0.10796 0.70053 0.80848 1.00000
Se4 Se 0.89204 0.70053 0.59257 1.00000
I1 I 0.50000 0.00000 0.50000 1.00000
Br1 Br 0.78428 0.54369 0.75941 1.00000
Br2 Br 0.21572 0.97512 0.75941 1.00000
Br3 Br 0.21572 0.45631 0.24059 1.00000
Br4 Br 0.78428 0.02488 0.24059 1.00000
Br5 Br 0.58446 0.35583 0.22863 1.00000
Br6 Br 0.41554 0.64417 0.77137 1.00000
Br7 Br 0.87279 0.64417 0.22863 1.00000
Br8 Br 0.12721 0.35583 0.77137 1.00000
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