SbTe2F6
Alexandria ALEXAlex-ID: agm005277522 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1665_spg2
TeF4 Te SbF3
2023-05-07 14:10:02.365138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005277522).
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 agm005277522
data_agm005277522
_cell_length_a 5.76783
_cell_length_b 8.26027
_cell_length_c 8.61841
_cell_angle_alpha 71.72255
_cell_angle_beta 78.02241
_cell_angle_gamma 77.77703
_cell_volume 376.62710
_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
Sb1 Sb 0.61996 0.17815 0.66280 1.00000
Sb2 Sb 0.38004 0.82185 0.33720 1.00000
Te1 Te 0.94117 0.26805 0.06073 1.00000
Te2 Te 0.85033 0.55382 0.80519 1.00000
Te3 Te 0.14967 0.44618 0.19481 1.00000
Te4 Te 0.05883 0.73195 0.93927 1.00000
F1 F 0.89537 0.29146 0.56389 1.00000
F2 F 0.81715 0.95628 0.66705 1.00000
F3 F 0.56805 0.60528 0.31939 1.00000
F4 F 0.54601 0.20680 0.44894 1.00000
F5 F 0.65134 0.93517 0.22935 1.00000
F6 F 0.70758 0.15038 0.87742 1.00000
F7 F 0.29242 0.84962 0.12258 1.00000
F8 F 0.34866 0.06483 0.77065 1.00000
F9 F 0.45399 0.79320 0.55106 1.00000
F10 F 0.43195 0.39472 0.68061 1.00000
F11 F 0.18285 0.04372 0.33295 1.00000
F12 F 0.10463 0.70854 0.43611 1.00000
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