Mn4Ga3SiRu8
Alexandria ALEXAlex-ID: agm045829073 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_104_spg166
MnGaRu2 Mn2GaSiRu4
2024-09-30 12:28:36.935549
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045829073).
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 agm045829073
data_agm045829073
_cell_length_a 14.01630
_cell_length_b 14.01630
_cell_length_c 14.01630
_cell_angle_alpha 17.34810
_cell_angle_beta 17.34810
_cell_angle_gamma 17.34810
_cell_volume 213.63991
_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 0.37507 0.37507 0.37507 1.00000
Mn2 Mn 0.62493 0.62493 0.62493 1.00000
Mn3 Mn 0.12465 0.12465 0.12465 1.00000
Mn4 Mn 0.87535 0.87535 0.87535 1.00000
Ga1 Ga 0.24937 0.24937 0.24937 1.00000
Ga2 Ga 0.00000 0.00000 0.00000 1.00000
Ga3 Ga 0.75063 0.75063 0.75063 1.00000
Si1 Si 0.50000 0.50000 0.50000 1.00000
Ru1 Ru 0.06293 0.06293 0.06293 1.00000
Ru2 Ru 0.31247 0.31247 0.31247 1.00000
Ru3 Ru 0.81411 0.81411 0.81411 1.00000
Ru4 Ru 0.56067 0.56067 0.56067 1.00000
Ru5 Ru 0.43933 0.43933 0.43933 1.00000
Ru6 Ru 0.68753 0.68753 0.68753 1.00000
Ru7 Ru 0.18589 0.18589 0.18589 1.00000
Ru8 Ru 0.93707 0.93707 0.93707 1.00000
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