Ac3Ge2S
Alexandria ALEXAlex-ID: agm005690264 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_873_spg71
AcGe Ac2GeS
2023-08-25 04:34:16.707432
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690264).
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 agm005690264
data_agm005690264
_cell_length_a 4.47905
_cell_length_b 6.37063
_cell_length_c 7.87129
_cell_angle_alpha 113.87077
_cell_angle_beta 106.53019
_cell_angle_gamma 89.99999
_cell_volume 195.19539
_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 0.50000 0.50000 0.00000 1.00000
Ac2 Ac 0.16158 0.16161 0.32321 1.00000
Ac3 Ac 0.83842 0.83839 0.67679 1.00000
Ge1 Ge 0.16565 0.66563 0.33126 1.00000
Ge2 Ge 0.83435 0.33437 0.66874 1.00000
S1 S 0.50000 0.00000 0.00000 1.00000
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