Zn4FeCu10(GeS4)5
Alexandria ALEXAlex-ID: agm011069771 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D10E20_2_spg5
Cu5Ge2S7 ZnCu2GeS4 FeS GeS
2025-04-01 21:11:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011069771).
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 agm011069771
data_agm011069771
_cell_length_a 9.98738
_cell_length_b 9.98738
_cell_length_c 15.13768
_cell_angle_alpha 79.20120
_cell_angle_beta 100.79880
_cell_angle_gamma 149.09429
_cell_volume 760.75693
_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
Zn1 Zn 0.80006 0.99961 0.60047 1.00000
Zn2 Zn 0.20016 0.60097 0.19970 1.00000
Zn3 Zn 0.60097 0.20016 0.80030 1.00000
Zn4 Zn 0.99961 0.80006 0.39953 1.00000
Fe1 Fe 0.40149 0.40149 0.00000 1.00000
Cu1 Cu 0.59699 0.19949 0.04958 1.00000
Cu2 Cu 0.40046 0.40165 0.24862 1.00000
Cu3 Cu 0.19937 0.59984 0.45007 1.00000
Cu4 Cu 0.99998 0.79963 0.64977 1.00000
Cu5 Cu 0.80104 0.99737 0.85215 1.00000
Cu6 Cu 0.99737 0.80104 0.14785 1.00000
Cu7 Cu 0.79963 0.99998 0.35023 1.00000
Cu8 Cu 0.59984 0.19937 0.54993 1.00000
Cu9 Cu 0.40165 0.40046 0.75138 1.00000
Cu10 Cu 0.19949 0.59699 0.95042 1.00000
Ge1 Ge 0.59911 0.20016 0.29941 1.00000
Ge2 Ge 0.39918 0.39918 0.50000 1.00000
Ge3 Ge 0.20016 0.59911 0.70059 1.00000
Ge4 Ge 0.00052 0.80038 0.90052 1.00000
Ge5 Ge 0.80038 0.00052 0.09948 1.00000
S1 S 0.85900 0.45731 0.67203 1.00000
S2 S 0.25646 0.05671 0.27117 1.00000
S3 S 0.65090 0.64892 0.87527 1.00000
S4 S 0.05773 0.25706 0.47225 1.00000
S5 S 0.45728 0.85795 0.07161 1.00000
S6 S 0.43962 0.84424 0.57541 1.00000
S7 S 0.84041 0.44703 0.17469 1.00000
S8 S 0.24107 0.04515 0.77492 1.00000
S9 S 0.63917 0.64487 0.37462 1.00000
S10 S 0.05079 0.24988 0.97574 1.00000
S11 S 0.84424 0.43962 0.42459 1.00000
S12 S 0.24988 0.05079 0.02426 1.00000
S13 S 0.64487 0.63917 0.62538 1.00000
S14 S 0.04515 0.24107 0.22508 1.00000
S15 S 0.44703 0.84041 0.82531 1.00000
S16 S 0.45731 0.85900 0.32797 1.00000
S17 S 0.85795 0.45728 0.92839 1.00000
S18 S 0.25706 0.05773 0.52775 1.00000
S19 S 0.64892 0.65090 0.12473 1.00000
S20 S 0.05671 0.25646 0.72883 1.00000
