Sc2Mn2ZnRu5
Alexandria ALEXAlex-ID: agm005134671 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D5_48_spg127
MnRu3 ScZn2Ru ScRu2 Mn
2022-07-15 04:02:20.217475
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005134671).
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 agm005134671
data_agm005134671
_cell_length_a 3.34188
_cell_length_b 9.55119
_cell_length_c 9.55119
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 304.86375
_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 0.00000 0.67060 0.17060 1.00000
Sc2 Sc 0.00000 0.32940 0.82940 1.00000
Sc3 Sc 0.00000 0.17060 0.32940 1.00000
Sc4 Sc 0.00000 0.82940 0.67060 1.00000
Mn1 Mn 0.00000 0.13182 0.63182 1.00000
Mn2 Mn 0.00000 0.86818 0.36818 1.00000
Mn3 Mn 0.00000 0.63182 0.86818 1.00000
Mn4 Mn 0.00000 0.36818 0.13182 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.00000 0.50000 0.50000 1.00000
Ru1 Ru 0.50000 0.20297 0.06701 1.00000
Ru2 Ru 0.50000 0.79703 0.93299 1.00000
Ru3 Ru 0.50000 0.06701 0.79703 1.00000
Ru4 Ru 0.50000 0.70297 0.43299 1.00000
Ru5 Ru 0.50000 0.93299 0.20297 1.00000
Ru6 Ru 0.50000 0.29703 0.56701 1.00000
Ru7 Ru 0.50000 0.56701 0.70297 1.00000
Ru8 Ru 0.50000 0.43299 0.29703 1.00000
Ru9 Ru 0.50000 0.50000 0.00000 1.00000
Ru10 Ru 0.50000 0.00000 0.50000 1.00000
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