NaGeS2
Alexandria ALEXAlex-ID: agm005707145 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1453_spg10
Na2GeS3 Na2Ge2S5 Ge
2023-07-12 08:32:45.079119
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707145).
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
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# CIF generated by HEAS from Alexandria entry agm005707145
data_agm005707145
_cell_length_a 3.65220
_cell_length_b 8.67511
_cell_length_c 6.90493
_cell_angle_alpha 65.44655
_cell_angle_beta 89.99817
_cell_angle_gamma 90.00232
_cell_volume 198.98801
_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 0.53156 0.20417 0.72734 1.00000
Na2 Na 0.53172 0.70382 0.72863 1.00000
Ge1 Ge 0.03258 0.04911 0.33508 1.00000
Ge2 Ge 0.03260 0.35793 0.12054 1.00000
S1 S 0.53245 0.94324 0.21845 1.00000
S2 S 0.53248 0.46378 0.23730 1.00000
S3 S 0.03189 0.43899 0.77825 1.00000
S4 S 0.03178 0.96886 0.67724 1.00000
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