UMnB2Ru5
Alexandria ALEXAlex-ID: agm005148518 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_276_spg123
U2BRu6 MnB Ru BRu
2023-01-21 02:12:33.844709
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005148518).
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 agm005148518
data_agm005148518
_cell_length_a 4.12171
_cell_length_b 4.12171
_cell_length_c 8.46623
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 143.82867
_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
U1 U 0.50000 0.50000 0.50000 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
B1 B 0.00000 0.00000 0.24467 1.00000
B2 B 0.00000 0.00000 0.75533 1.00000
Ru1 Ru 0.00000 0.00000 0.50000 1.00000
Ru2 Ru 0.00000 0.50000 0.73078 1.00000
Ru3 Ru 0.50000 0.00000 0.26922 1.00000
Ru4 Ru 0.00000 0.50000 0.26922 1.00000
Ru5 Ru 0.50000 0.00000 0.73078 1.00000
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