HfTl2(I2F)2
Alexandria ALEXAlex-ID: agm004565741 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_241_spg12
Hf(TlI3)2 TlI HfF4
2022-06-19 14:35:39.865234
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565741).
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 agm004565741
data_agm004565741
_cell_length_a 7.07318
_cell_length_b 7.29914
_cell_length_c 7.29914
_cell_angle_alpha 69.73943
_cell_angle_beta 96.98561
_cell_angle_gamma 96.98561
_cell_volume 349.61943
_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
Hf1 Hf 0.50000 0.00000 0.00000 1.00000
Tl1 Tl 0.37416 0.65395 0.65395 1.00000
Tl2 Tl 0.62584 0.34605 0.34605 1.00000
I1 I 0.24689 0.64714 0.13653 1.00000
I2 I 0.75311 0.86347 0.35286 1.00000
I3 I 0.75311 0.35286 0.86347 1.00000
I4 I 0.24689 0.13653 0.64714 1.00000
F1 F 0.37089 0.13388 0.13388 1.00000
F2 F 0.62911 0.86612 0.86612 1.00000
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