Na2USnS5
Alexandria ALEXAlex-ID: agm005155342 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
Na2U(SnS3)2 SnS2 Na3(US3)2 Na3US4
2023-01-16 11:40:52.614776
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155342).
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 agm005155342
data_agm005155342
_cell_length_a 4.03928
_cell_length_b 8.51198
_cell_length_c 13.57000
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.72546
_cell_volume 453.24386
_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 0.86797 0.73594 0.80633 1.00000
Na2 Na 0.08859 0.17717 0.66543 1.00000
Na3 Na 0.13203 0.26406 0.30633 1.00000
Na4 Na 0.91141 0.82283 0.16543 1.00000
U1 U 0.76766 0.53533 0.53402 1.00000
U2 U 0.23234 0.46467 0.03402 1.00000
Sn1 Sn 0.53856 0.07712 0.93661 1.00000
Sn2 Sn 0.46144 0.92288 0.43661 1.00000
S1 S 0.38287 0.76573 0.99693 1.00000
S2 S 0.70128 0.40255 0.90583 1.00000
S3 S 0.49631 0.99262 0.76797 1.00000
S4 S 0.26631 0.53262 0.66172 1.00000
S5 S 0.93515 0.87029 0.54911 1.00000
S6 S 0.61713 0.23427 0.49693 1.00000
S7 S 0.29872 0.59745 0.40583 1.00000
S8 S 0.50369 0.00738 0.26797 1.00000
S9 S 0.73369 0.46738 0.16172 1.00000
S10 S 0.06485 0.12971 0.04911 1.00000
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