Na2TeH5SO10
Alexandria ALEXAlex-ID: agm003245481 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5E10_0_spg9
Na2TeH6SO10 Na2Te2O7 Na2SO4 TeO3 SO12
2021-12-31 16:29:13.664780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003245481).
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 agm003245481
data_agm003245481
_cell_length_a 5.91541
_cell_length_b 5.91541
_cell_length_c 15.25142
_cell_angle_alpha 88.25475
_cell_angle_beta 88.25475
_cell_angle_gamma 124.58509
_cell_volume 438.42563
_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
Na1 Na 0.90119 0.40085 0.62037 1.00000
Na2 Na 0.59634 0.47850 0.80914 1.00000
Na3 Na 0.40085 0.90119 0.12037 1.00000
Na4 Na 0.47850 0.59634 0.30914 1.00000
Te1 Te 0.98597 0.02945 0.00352 1.00000
Te2 Te 0.02945 0.98597 0.50352 1.00000
H1 H 0.95982 0.70316 0.37638 1.00000
H2 H 0.92310 0.41362 0.00685 1.00000
H3 H 0.68712 0.62662 0.11137 1.00000
H4 H 0.85373 0.23932 0.43266 1.00000
H5 H 0.47082 0.43241 0.48798 1.00000
H6 H 0.70316 0.95982 0.87638 1.00000
H7 H 0.41362 0.92310 0.50685 1.00000
H8 H 0.62662 0.68712 0.61137 1.00000
H9 H 0.23932 0.85373 0.93266 1.00000
H10 H 0.43241 0.47082 0.98798 1.00000
S1 S 0.86556 0.35105 0.24816 1.00000
S2 S 0.35105 0.86556 0.74816 1.00000
O1 O 0.90427 0.83000 0.39086 1.00000
O2 O 0.70397 0.64298 0.56119 1.00000
O3 O 0.96312 0.43523 0.33911 1.00000
O4 O 0.74786 0.50009 0.21552 1.00000
O5 O 0.79459 0.12591 0.49006 1.00000
O6 O 0.83000 0.90427 0.89086 1.00000
O7 O 0.79638 0.21125 0.01928 1.00000
O8 O 0.44259 0.12267 0.69187 1.00000
O9 O 0.35255 0.30722 0.44159 1.00000
O10 O 0.66330 0.05168 0.24694 1.00000
O11 O 0.43523 0.96312 0.83911 1.00000
O12 O 0.50009 0.74786 0.71552 1.00000
O13 O 0.12591 0.79459 0.99006 1.00000
O14 O 0.64298 0.70397 0.06119 1.00000
O15 O 0.16245 0.11849 0.11265 1.00000
O16 O 0.21125 0.79638 0.51928 1.00000
O17 O 0.30722 0.35255 0.94159 1.00000
O18 O 0.05168 0.66330 0.74694 1.00000
O19 O 0.12267 0.44259 0.19187 1.00000
O20 O 0.11849 0.16245 0.61265 1.00000
