MgU2HRu6
Alexandria ALEXAlex-ID: agm007588926 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_231_spg2
MgURu2 Mg2URu3 Mg2H4Ru URu3
2024-07-09 23:33:18.221509
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007588926).
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 agm007588926
data_agm007588926
_cell_length_a 7.04810
_cell_length_b 7.04810
_cell_length_c 7.04810
_cell_angle_alpha 45.65534
_cell_angle_beta 45.65534
_cell_angle_gamma 45.65534
_cell_volume 163.20791
_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
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
U1 U 0.75779 0.75779 0.75779 1.00000
U2 U 0.24221 0.24221 0.24221 1.00000
H1 H 0.00000 0.00000 0.00000 1.00000
Ru1 Ru 0.71794 0.22690 0.22690 1.00000
Ru2 Ru 0.22690 0.22690 0.71794 1.00000
Ru3 Ru 0.22690 0.71794 0.22690 1.00000
Ru4 Ru 0.77310 0.28206 0.77310 1.00000
Ru5 Ru 0.77310 0.77310 0.28206 1.00000
Ru6 Ru 0.28206 0.77310 0.77310 1.00000
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