Te2As2SO10
Alexandria ALEXAlex-ID: agm019448779 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D10_31_spg15
Te2SO7 As2O3
2025-01-22 23:50:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019448779).
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 agm019448779
data_agm019448779
_cell_length_a 9.49746
_cell_length_b 9.49746
_cell_length_c 8.93381
_cell_angle_alpha 64.25956
_cell_angle_beta 115.74044
_cell_angle_gamma 138.61321
_cell_volume 471.88262
_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
Te1 Te 0.23870 0.01059 0.25784 1.00000
Te2 Te 0.01059 0.23870 0.24216 1.00000
Te3 Te 0.76130 0.98941 0.74216 1.00000
Te4 Te 0.98941 0.76130 0.75784 1.00000
As1 As 0.52605 0.87581 0.34929 1.00000
As2 As 0.87581 0.52605 0.15071 1.00000
As3 As 0.47395 0.12419 0.65071 1.00000
As4 As 0.12419 0.47395 0.84929 1.00000
S1 S 0.58212 0.58212 0.25000 1.00000
S2 S 0.41788 0.41788 0.75000 1.00000
O1 O 0.71134 0.70089 0.39117 1.00000
O2 O 0.70089 0.71134 0.10883 1.00000
O3 O 0.28866 0.29911 0.60883 1.00000
O4 O 0.29911 0.28866 0.89117 1.00000
O5 O 0.52692 0.37091 0.31387 1.00000
O6 O 0.37091 0.52692 0.18613 1.00000
O7 O 0.47308 0.62909 0.68613 1.00000
O8 O 0.62909 0.47308 0.81387 1.00000
O9 O 0.48804 0.06331 0.29865 1.00000
O10 O 0.06331 0.48804 0.20135 1.00000
O11 O 0.51196 0.93669 0.70135 1.00000
O12 O 0.93669 0.51196 0.79865 1.00000
O13 O 0.22943 0.96935 0.48758 1.00000
O14 O 0.96935 0.22943 0.01242 1.00000
O15 O 0.77057 0.03065 0.51242 1.00000
O16 O 0.03065 0.77057 0.98758 1.00000
O17 O 0.04767 0.69330 0.30883 1.00000
O18 O 0.69330 0.04767 0.19117 1.00000
O19 O 0.95233 0.30670 0.69117 1.00000
O20 O 0.30670 0.95233 0.80883 1.00000
