Re3H2Ru3
Alexandria ALEXAlex-ID: agm006458481 · Space group: Pmma (#51)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_236_spg15
H2 ReRu
2024-02-27 03:37:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006458481).
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 agm006458481
data_agm006458481
_cell_length_a 13.40330
_cell_length_b 2.78579
_cell_length_c 4.86856
_cell_angle_alpha 89.98874
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 181.78635
_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
Re1 Re 0.08724 0.99981 0.30795 1.00000
Re2 Re 0.58724 0.00019 0.69205 1.00000
Re3 Re 0.41276 0.99981 0.30795 1.00000
Re4 Re 0.91276 0.00019 0.69205 1.00000
Re5 Re 0.25000 0.49971 0.49185 1.00000
Re6 Re 0.75000 0.50029 0.50815 1.00000
H1 H 0.65720 0.00049 0.33415 1.00000
H2 H 0.15720 0.99951 0.66585 1.00000
H3 H 0.84280 0.00049 0.33415 1.00000
H4 H 0.34280 0.99951 0.66585 1.00000
Ru1 Ru 0.08169 0.49991 0.83790 1.00000
Ru2 Ru 0.58169 0.50009 0.16210 1.00000
Ru3 Ru 0.41831 0.49991 0.83790 1.00000
Ru4 Ru 0.91831 0.50009 0.16210 1.00000
Ru5 Ru 0.25000 0.99990 0.00386 1.00000
Ru6 Ru 0.75000 0.00010 0.99614 1.00000
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