Mn3HRu
Alexandria ALEXAlex-ID: agm007626484 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_4857_spg12
Mn2H Mn MnRu3
2024-05-14 02:10:19.106003
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007626484).
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 agm007626484
data_agm007626484
_cell_length_a 5.37339
_cell_length_b 5.37339
_cell_length_c 4.25619
_cell_angle_alpha 89.99998
_cell_angle_beta 89.99998
_cell_angle_gamma 58.89095
_cell_volume 105.21708
_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 0.66220 0.66220 0.78334 1.00000
Mn2 Mn 0.15888 0.68644 0.75258 1.00000
Mn3 Mn 0.33780 0.33780 0.21666 1.00000
Mn4 Mn 0.84112 0.31356 0.24742 1.00000
Mn5 Mn 0.31356 0.84112 0.24742 1.00000
Mn6 Mn 0.68644 0.15888 0.75258 1.00000
H1 H 0.66299 0.66299 0.37631 1.00000
H2 H 0.33701 0.33701 0.62369 1.00000
Ru1 Ru 0.84393 0.84393 0.24792 1.00000
Ru2 Ru 0.15607 0.15607 0.75208 1.00000
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