AcGeS4
Alexandria ALEXAlex-ID: agm003733281 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1246_spg11
AcS2 GeS2
2022-04-19 04:41:08.487316
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003733281).
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 agm003733281
data_agm003733281
_cell_length_a 6.00561
_cell_length_b 7.81603
_cell_length_c 9.54055
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 130.52796
_cell_volume 340.39307
_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
Ac1 Ac 0.99715 0.64189 0.75000 1.00000
Ac2 Ac 0.00285 0.35811 0.25000 1.00000
Ge1 Ge 0.99696 0.13261 0.75000 1.00000
Ge2 Ge 0.00304 0.86739 0.25000 1.00000
S1 S 0.60566 0.76880 0.75000 1.00000
S2 S 0.39434 0.23120 0.25000 1.00000
S3 S 0.38887 0.16031 0.75000 1.00000
S4 S 0.61113 0.83969 0.25000 1.00000
S5 S 0.00334 0.68390 0.07041 1.00000
S6 S 0.99666 0.31610 0.57041 1.00000
S7 S 0.00334 0.68390 0.42959 1.00000
S8 S 0.99666 0.31610 0.92959 1.00000
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