Pm2CuGeS5
Alexandria ALEXAlex-ID: agm005149381 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_198_spg36
Cu5Ge2S7 Pm6Ge3S14 Pm2S3 Ge
2023-01-19 13:53:03.691355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005149381).
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 agm005149381
data_agm005149381
_cell_length_a 3.99540
_cell_length_b 8.80130
_cell_length_c 11.10339
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 103.11921
_cell_volume 380.25690
_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
Pm1 Pm 0.87891 0.75781 0.79482 1.00000
Pm2 Pm 0.11160 0.22319 0.67369 1.00000
Pm3 Pm 0.12109 0.24219 0.29482 1.00000
Pm4 Pm 0.88840 0.77681 0.17369 1.00000
Cu1 Cu 0.74884 0.49769 0.60045 1.00000
Cu2 Cu 0.25116 0.50231 0.10045 1.00000
Ge1 Ge 0.59151 0.18303 0.96843 1.00000
Ge2 Ge 0.40849 0.81697 0.46843 1.00000
S1 S 0.36029 0.72058 0.98764 1.00000
S2 S 0.69337 0.38674 0.81713 1.00000
S3 S 0.50643 0.01287 0.78421 1.00000
S4 S 0.30621 0.61241 0.63910 1.00000
S5 S 0.95980 0.91960 0.55851 1.00000
S6 S 0.63971 0.27942 0.48764 1.00000
S7 S 0.30663 0.61326 0.31713 1.00000
S8 S 0.49357 0.98713 0.28421 1.00000
S9 S 0.69379 0.38759 0.13910 1.00000
S10 S 0.04020 0.08040 0.05851 1.00000
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