PrTl(GeI4)2
Alexandria ALEXAlex-ID: agm004898569 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_313_spg2
PrTl2I5 PrI3 GeI2
2023-01-01 22:26:06.122767
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004898569).
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 agm004898569
data_agm004898569
_cell_length_a 7.74376
_cell_length_b 7.28153
_cell_length_c 9.56536
_cell_angle_alpha 86.87937
_cell_angle_beta 86.33894
_cell_angle_gamma 87.54220
_cell_volume 537.03734
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Ge1 Ge 0.47438 0.46611 0.74149 1.00000
Ge2 Ge 0.52562 0.53389 0.25851 1.00000
I1 I 0.17269 0.74405 0.23188 1.00000
I2 I 0.66714 0.75113 0.01967 1.00000
I3 I 0.83423 0.25942 0.22967 1.00000
I4 I 0.82731 0.25595 0.76812 1.00000
I5 I 0.33286 0.24887 0.98033 1.00000
I6 I 0.16577 0.74058 0.77033 1.00000
I7 I 0.63777 0.72577 0.47120 1.00000
I8 I 0.36223 0.27423 0.52880 1.00000
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