MnCu4Hg(GeSe4)2
Alexandria ALEXAlex-ID: agm010341698 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4E8_33_spg5
Cu5Ge2Se7 MnSe2 Hg GeSe
2024-05-14 15:32:59.098082
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010341698).
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 agm010341698
data_agm010341698
_cell_length_a 7.03270
_cell_length_b 7.03270
_cell_length_c 8.09908
_cell_angle_alpha 89.97171
_cell_angle_beta 89.97171
_cell_angle_gamma 109.79371
_cell_volume 376.90423
_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
Mn1 Mn 0.49913 0.50087 0.50000 1.00000
Cu1 Cu 0.00272 0.99728 0.50000 1.00000
Cu2 Cu 0.49763 0.50237 0.00000 1.00000
Cu3 Cu 0.00473 0.50444 0.74427 1.00000
Cu4 Cu 0.49556 0.99527 0.25573 1.00000
Hg1 Hg 0.00026 0.99974 0.00000 1.00000
Ge1 Ge 0.99773 0.49791 0.25115 1.00000
Ge2 Ge 0.50209 0.00227 0.74885 1.00000
Se1 Se 0.37491 0.62852 0.75692 1.00000
Se2 Se 0.86494 0.12912 0.27191 1.00000
Se3 Se 0.87088 0.13506 0.72809 1.00000
Se4 Se 0.37148 0.62509 0.24308 1.00000
Se5 Se 0.86330 0.59488 0.99705 1.00000
Se6 Se 0.36723 0.11772 0.50184 1.00000
Se7 Se 0.88228 0.63277 0.49816 1.00000
Se8 Se 0.40512 0.13670 0.00295 1.00000
Get direct link