CsRbTl
Alexandria ALEXAlex-ID: agm017178696 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_594_spg71
Rb CsTl
2025-04-14 12:51:50
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017178696).
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 agm017178696
data_agm017178696
_cell_length_a 10.11927
_cell_length_b 10.11927
_cell_length_c 7.77929
_cell_angle_alpha 78.87018
_cell_angle_beta 101.12982
_cell_angle_gamma 148.43769
_cell_volume 408.48406
_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 0.84406 0.15594 0.65670 1.00000
Cs2 Cs 0.15594 0.84406 0.34330 1.00000
Rb1 Rb 0.41580 0.58420 0.20276 1.00000
Rb2 Rb 0.58420 0.41580 0.79724 1.00000
Tl1 Tl 0.23650 0.76350 0.90287 1.00000
Tl2 Tl 0.76350 0.23650 0.09713 1.00000
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