MgCu2H7Ru2
Alexandria ALEXAlex-ID: agm006497487 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_10_spg44
CuH4 Mg2H6Ru Ru Cu
2024-02-29 03:38:07.460011
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006497487).
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 agm006497487
data_agm006497487
_cell_length_a 7.91444
_cell_length_b 7.91444
_cell_length_c 7.91444
_cell_angle_alpha 153.83560
_cell_angle_beta 153.82245
_cell_angle_gamma 37.34816
_cell_volume 96.29517
_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 0.00795 0.00000 0.00795 1.00000
Cu1 Cu 0.23740 0.75094 0.48647 1.00000
Cu2 Cu 0.73553 0.24906 0.48647 1.00000
H1 H 0.10943 0.62062 0.48882 1.00000
H2 H 0.25935 0.27505 0.98430 1.00000
H3 H 0.35777 0.89446 0.46331 1.00000
H4 H 0.86820 0.37938 0.48882 1.00000
H5 H 0.70925 0.72495 0.98430 1.00000
H6 H 0.56884 0.10554 0.46331 1.00000
H7 H 0.67184 0.50000 0.17184 1.00000
Ru1 Ru 0.59298 0.60561 0.98737 1.00000
Ru2 Ru 0.38176 0.39439 0.98737 1.00000
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