MnGeSe2
Alexandria ALEXAlex-ID: agm005669912 · Space group: P2/c (#13)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_1127_spg13
MnSe2 Ge
2023-07-12 06:47:49.997104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669912).
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
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# CIF generated by HEAS from Alexandria entry agm005669912
data_agm005669912
_cell_length_a 3.47445
_cell_length_b 5.96350
_cell_length_c 8.23264
_cell_angle_alpha 95.27544
_cell_angle_beta 90.00219
_cell_angle_gamma 90.00021
_cell_volume 169.85673
_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 0.03670 0.20358 0.72781 1.00000
Mn2 Mn 0.52755 0.70355 0.72781 1.00000
Ge1 Ge 0.28216 0.95423 0.22800 1.00000
Ge2 Ge 0.28215 0.45423 0.22801 1.00000
Se1 Se 0.03417 0.89364 0.90459 1.00000
Se2 Se 0.03414 0.51350 0.55099 1.00000
Se3 Se 0.53012 0.39364 0.90460 1.00000
Se4 Se 0.53007 0.01351 0.55101 1.00000
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