CsTbI4
Alexandria ALEXAlex-ID: agm003746277 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1322_spg12
Cs3Tb2I9 TbI3
2022-04-18 16:36:18.407853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003746277).
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 agm003746277
data_agm003746277
_cell_length_a 6.13275
_cell_length_b 13.83955
_cell_length_c 11.00147
_cell_angle_alpha 113.02595
_cell_angle_beta 90.00000
_cell_angle_gamma 102.80103
_cell_volume 834.07555
_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 0.25541 0.51082 0.25459 1.00000
Cs2 Cs 0.74459 0.48918 0.74541 1.00000
Tb1 Tb 0.09132 0.18263 0.59218 1.00000
Tb2 Tb 0.90868 0.81737 0.40782 1.00000
I1 I 0.00099 0.00197 0.31070 1.00000
I2 I 0.17635 0.35269 0.87039 1.00000
I3 I 0.82226 0.64452 0.51406 1.00000
I4 I 0.58714 0.17427 0.58919 1.00000
I5 I 0.41286 0.82573 0.41081 1.00000
I6 I 0.17774 0.35548 0.48594 1.00000
I7 I 0.82365 0.64731 0.12961 1.00000
I8 I 0.99901 0.99803 0.68930 1.00000
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