TlCrSn2F8
Alexandria ALEXAlex-ID: agm004909800 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_313_spg2
TlCrF4 SnF2
2022-12-20 04:26:59.264682
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909800).
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 agm004909800
data_agm004909800
_cell_length_a 5.37757
_cell_length_b 5.16462
_cell_length_c 7.86493
_cell_angle_alpha 92.51688
_cell_angle_beta 96.00488
_cell_angle_gamma 87.74050
_cell_volume 216.89195
_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
Cr1 Cr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.49986 0.49614 0.76377 1.00000
Sn2 Sn 0.50014 0.50386 0.23623 1.00000
F1 F 0.13733 0.76729 0.18107 1.00000
F2 F 0.72929 0.75799 0.93637 1.00000
F3 F 0.80048 0.16990 0.17014 1.00000
F4 F 0.86267 0.23271 0.81893 1.00000
F5 F 0.27071 0.24201 0.06363 1.00000
F6 F 0.19952 0.83010 0.82986 1.00000
F7 F 0.62665 0.70560 0.56915 1.00000
F8 F 0.37335 0.29440 0.43085 1.00000
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