Sm4Mg7Ge6
Alexandria ALEXAlex-ID: agm005236000 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B6C7_2_spg12
SmMgGe Sm2MgGe2 Mg2Ge
2023-05-07 11:28:05.754027
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005236000).
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 agm005236000
data_agm005236000
_cell_length_a 8.56546
_cell_length_b 8.56546
_cell_length_c 12.46636
_cell_angle_alpha 58.85491
_cell_angle_beta 58.85491
_cell_angle_gamma 29.88730
_cell_volume 384.95323
_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
Sm1 Sm 0.26715 0.26715 0.61387 1.00000
Sm2 Sm 0.73285 0.73285 0.38613 1.00000
Sm3 Sm 0.37088 0.37088 0.83852 1.00000
Sm4 Sm 0.62912 0.62912 0.16148 1.00000
Mg1 Mg 0.04094 0.04094 0.86065 1.00000
Mg2 Mg 0.95906 0.95906 0.13935 1.00000
Mg3 Mg 0.06363 0.06363 0.60252 1.00000
Mg4 Mg 0.93637 0.93637 0.39748 1.00000
Mg5 Mg 0.69026 0.69026 0.84803 1.00000
Mg6 Mg 0.30974 0.30974 0.15197 1.00000
Mg7 Mg 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.12048 0.12048 0.34692 1.00000
Ge2 Ge 0.87952 0.87952 0.65308 1.00000
Ge3 Ge 0.14987 0.14987 0.97946 1.00000
Ge4 Ge 0.85013 0.85013 0.02054 1.00000
Ge5 Ge 0.61166 0.61166 0.68628 1.00000
Ge6 Ge 0.38834 0.38834 0.31372 1.00000
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