TlIn(GeI4)2
Alexandria ALEXAlex-ID: agm004898564 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_506_spg2
TlInI4 GeI2
2023-01-01 22:26:04.882763
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004898564).
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 agm004898564
data_agm004898564
_cell_length_a 8.22904
_cell_length_b 7.09701
_cell_length_c 9.64274
_cell_angle_alpha 91.85005
_cell_angle_beta 82.07836
_cell_angle_gamma 83.86151
_cell_volume 553.94700
_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
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.40185 0.45562 0.73155 1.00000
Ge2 Ge 0.59815 0.54438 0.26845 1.00000
I1 I 0.17942 0.77864 0.18175 1.00000
I2 I 0.68856 0.81601 0.07468 1.00000
I3 I 0.89834 0.30851 0.24198 1.00000
I4 I 0.82058 0.22136 0.81825 1.00000
I5 I 0.31144 0.18399 0.92532 1.00000
I6 I 0.10166 0.69149 0.75802 1.00000
I7 I 0.65040 0.72221 0.50788 1.00000
I8 I 0.34960 0.27779 0.49212 1.00000
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