AgGeSe2
Alexandria ALEXAlex-ID: agm005802573 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1307_spg6
GeSe Ag8GeSe6 GeSe2
2023-07-12 04:05:00.571060
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802573).
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 agm005802573
data_agm005802573
_cell_length_a 4.70052
_cell_length_b 6.69819
_cell_length_c 6.83404
_cell_angle_alpha 90.08930
_cell_angle_beta 90.00513
_cell_angle_gamma 90.01556
_cell_volume 215.16911
_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
Ag1 Ag 0.03200 0.26714 0.83570 1.00000
Ag2 Ag 0.03207 0.86387 0.58192 1.00000
Ge1 Ge 0.53202 0.98315 0.06590 1.00000
Ge2 Ge 0.53239 0.35337 0.39904 1.00000
Se1 Se 0.03197 0.86970 0.97384 1.00000
Se2 Se 0.03238 0.45704 0.50060 1.00000
Se3 Se 0.53211 0.35435 0.03234 1.00000
Se4 Se 0.53211 0.98127 0.43348 1.00000
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