Na2Ga3S2
Alexandria ALEXAlex-ID: agm009776077 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_3349_spg2
Na3GaS3 Ga
2024-03-17 16:32:15.724894
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009776077).
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 agm009776077
data_agm009776077
_cell_length_a 3.71437
_cell_length_b 7.99952
_cell_length_c 11.54709
_cell_angle_alpha 109.54509
_cell_angle_beta 79.99819
_cell_angle_gamma 100.33227
_cell_volume 315.68706
_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 0.70860 0.12602 0.67690 1.00000
Na2 Na 0.29140 0.87398 0.32310 1.00000
Na3 Na 0.12748 0.31138 0.22569 1.00000
Na4 Na 0.87252 0.68862 0.77431 1.00000
Ga1 Ga 0.41756 0.35573 0.52062 1.00000
Ga2 Ga 0.58244 0.64427 0.47938 1.00000
Ga3 Ga 0.76712 0.62060 0.05591 1.00000
Ga4 Ga 0.23288 0.37940 0.94409 1.00000
Ga5 Ga 0.31138 0.06031 0.94367 1.00000
Ga6 Ga 0.68862 0.93969 0.05633 1.00000
S1 S 0.10544 0.82486 0.57009 1.00000
S2 S 0.89456 0.17514 0.42991 1.00000
S3 S 0.71468 0.58754 0.26374 1.00000
S4 S 0.28532 0.41246 0.73626 1.00000
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