AlCr(H4Ru)2
Alexandria ALEXAlex-ID: agm007605980 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_37_spg148
H2 AlH3Ru CrH2Ru
2025-05-27 06:31:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007605980).
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 agm007605980
data_agm007605980
_cell_length_a 4.16404
_cell_length_b 5.03970
_cell_length_c 5.15803
_cell_angle_alpha 77.15429
_cell_angle_beta 66.21191
_cell_angle_gamma 65.48988
_cell_volume 89.92567
_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
Al1 Al 0.00001 1.00000 1.00000 1.00000
Cr1 Cr 0.00002 0.49999 0.49999 1.00000
H1 H 0.34544 0.64624 0.18736 1.00000
H2 H 0.82301 0.64653 0.18610 1.00000
H3 H 0.65455 0.35377 0.81264 1.00000
H4 H 0.04706 0.79281 0.64766 1.00000
H5 H 0.95293 0.20719 0.35234 1.00000
H6 H 0.51236 0.79275 0.64944 1.00000
H7 H 0.48766 0.20725 0.35056 1.00000
H8 H 0.17697 0.35347 0.81391 1.00000
Ru1 Ru 0.39318 0.90834 0.30666 1.00000
Ru2 Ru 0.60682 0.09167 0.69334 1.00000
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