Mn5Ge2
Alexandria ALEXAlex-ID: agm005236259 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5_27_spg72
Mn3Ge MnGe
2023-05-06 18:31:47.003643
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236259).
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 agm005236259
data_agm005236259
_cell_length_a 6.89454
_cell_length_b 6.89454
_cell_length_c 6.89454
_cell_angle_alpha 135.85217
_cell_angle_beta 127.54043
_cell_angle_gamma 70.92132
_cell_volume 177.34945
_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 0.22717 0.47717 0.25000 1.00000
Mn2 Mn 0.41286 0.10686 0.30599 1.00000
Mn3 Mn 0.22717 0.97717 0.75000 1.00000
Mn4 Mn 0.77283 0.02283 0.25000 1.00000
Mn5 Mn 0.00000 0.75000 0.75000 1.00000
Mn6 Mn 0.80087 0.60686 0.19401 1.00000
Mn7 Mn 0.19913 0.39314 0.80599 1.00000
Mn8 Mn 0.58714 0.89314 0.69401 1.00000
Mn9 Mn 0.00000 0.25000 0.25000 1.00000
Mn10 Mn 0.77283 0.52283 0.75000 1.00000
Ge1 Ge 0.83437 0.11974 0.71463 1.00000
Ge2 Ge 0.40511 0.61974 0.78537 1.00000
Ge3 Ge 0.16563 0.88026 0.28537 1.00000
Ge4 Ge 0.59489 0.38026 0.21463 1.00000
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