Sc4Mn4Ge7
Alexandria ALEXAlex-ID: agm008540705 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B4C7_0_spg139
Sc4Mn4Ge7
2024-09-25 04:01:03.689555
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008540705).
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 agm008540705
data_agm008540705
_cell_length_a 9.89101
_cell_length_b 9.89101
_cell_length_c 9.89101
_cell_angle_alpha 94.11192
_cell_angle_beta 94.11192
_cell_angle_gamma 148.93584
_cell_volume 481.07414
_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
Sc1 Sc 0.13977 0.13977 0.27954 1.00000
Sc2 Sc 0.86023 0.86023 0.72046 1.00000
Sc3 Sc 0.86023 0.13977 0.00000 1.00000
Sc4 Sc 0.13977 0.86023 0.00000 1.00000
Sc5 Sc 0.50000 0.30448 0.80448 1.00000
Sc6 Sc 0.50000 0.69552 0.19552 1.00000
Sc7 Sc 0.69552 0.50000 0.19552 1.00000
Sc8 Sc 0.30448 0.50000 0.80448 1.00000
Mn1 Mn 0.39921 0.89921 0.79842 1.00000
Mn2 Mn 0.10079 0.60079 0.20158 1.00000
Mn3 Mn 0.10079 0.89921 0.50000 1.00000
Mn4 Mn 0.39921 0.60079 0.50000 1.00000
Mn5 Mn 0.60079 0.39921 0.50000 1.00000
Mn6 Mn 0.89921 0.10079 0.50000 1.00000
Mn7 Mn 0.89921 0.39921 0.79842 1.00000
Mn8 Mn 0.60079 0.10079 0.20158 1.00000
Ge1 Ge 0.50000 0.09317 0.59317 1.00000
Ge2 Ge 0.50000 0.90683 0.40683 1.00000
Ge3 Ge 0.90683 0.50000 0.40683 1.00000
Ge4 Ge 0.09317 0.50000 0.59317 1.00000
Ge5 Ge 0.74936 0.74936 0.00000 1.00000
Ge6 Ge 0.25064 0.25064 0.00000 1.00000
Ge7 Ge 0.29660 0.29660 0.59320 1.00000
Ge8 Ge 0.70340 0.70340 0.40680 1.00000
Ge9 Ge 0.70340 0.29660 0.00000 1.00000
Ge10 Ge 0.29660 0.70340 0.00000 1.00000
Ge11 Ge 0.00000 0.28627 0.28627 1.00000
Ge12 Ge 0.00000 0.71373 0.71373 1.00000
Ge13 Ge 0.71373 0.00000 0.71373 1.00000
Ge14 Ge 0.28627 0.00000 0.28627 1.00000
