Gd4(GeS4)3
Alexandria ALEXAlex-ID: agm003245366 · Space group: R3c (#161)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C12_7_spg161
Gd2S3 GeS2
2022-01-01 11:22:28.845267
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003245366).
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 agm003245366
data_agm003245366
_cell_length_a 11.46810
_cell_length_b 11.46810
_cell_length_c 11.46810
_cell_angle_alpha 114.95728
_cell_angle_beta 114.95728
_cell_angle_gamma 114.95727
_cell_volume 847.38106
_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
Gd1 Gd 0.50800 0.50800 0.50800 1.00000
Gd2 Gd 0.00800 0.00800 0.00800 1.00000
Gd3 Gd 0.52384 0.05974 0.27896 1.00000
Gd4 Gd 0.05974 0.27896 0.52384 1.00000
Gd5 Gd 0.27896 0.52384 0.05974 1.00000
Gd6 Gd 0.77896 0.55974 0.02384 1.00000
Gd7 Gd 0.55974 0.02384 0.77896 1.00000
Gd8 Gd 0.02384 0.77896 0.55974 1.00000
Ge1 Ge 0.52741 0.35284 0.14268 1.00000
Ge2 Ge 0.35284 0.14268 0.52741 1.00000
Ge3 Ge 0.14268 0.52741 0.35284 1.00000
Ge4 Ge 0.64268 0.85284 0.02741 1.00000
Ge5 Ge 0.85284 0.02741 0.64268 1.00000
Ge6 Ge 0.02741 0.64268 0.85284 1.00000
S1 S 0.72513 0.11739 0.19595 1.00000
S2 S 0.11739 0.19595 0.72513 1.00000
S3 S 0.19595 0.72513 0.11739 1.00000
S4 S 0.69595 0.61739 0.22513 1.00000
S5 S 0.61739 0.22513 0.69595 1.00000
S6 S 0.22513 0.69595 0.61739 1.00000
S7 S 0.31536 0.32369 0.13624 1.00000
S8 S 0.32369 0.13624 0.31536 1.00000
S9 S 0.13624 0.31536 0.32369 1.00000
S10 S 0.63624 0.82369 0.81536 1.00000
S11 S 0.82369 0.81536 0.63624 1.00000
S12 S 0.81536 0.63624 0.82369 1.00000
S13 S 0.70474 0.41072 0.38739 1.00000
S14 S 0.41072 0.38739 0.70474 1.00000
S15 S 0.38739 0.70474 0.41072 1.00000
S16 S 0.88739 0.91072 0.20474 1.00000
S17 S 0.91072 0.20474 0.88739 1.00000
S18 S 0.20474 0.88739 0.91072 1.00000
S19 S 0.36077 0.64044 0.90570 1.00000
S20 S 0.64044 0.90570 0.36077 1.00000
S21 S 0.90570 0.36077 0.64044 1.00000
S22 S 0.40570 0.14044 0.86077 1.00000
S23 S 0.14044 0.86077 0.40570 1.00000
S24 S 0.86077 0.40570 0.14044 1.00000
