Sb2H7Ru
Alexandria ALEXAlex-ID: agm006195877 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_266_spg139
H2 Sb2Ru
2024-02-06 13:41:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006195877).
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 agm006195877
data_agm006195877
_cell_length_a 5.07098
_cell_length_b 6.68228
_cell_length_c 4.22373
_cell_angle_alpha 71.57654
_cell_angle_beta 65.38875
_cell_angle_gamma 63.67402
_cell_volume 115.10123
_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
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
H1 H 0.50000 0.50000 0.50000 1.00000
H2 H 0.30700 0.83350 0.15188 1.00000
H3 H 0.69300 0.16650 0.29239 1.00000
H4 H 0.30700 0.83350 0.70761 1.00000
H5 H 0.74181 0.86749 0.19535 1.00000
H6 H 0.25819 0.13251 0.80465 1.00000
H7 H 0.69300 0.16650 0.84812 1.00000
Sb1 Sb 0.04980 0.70455 0.62282 1.00000
Sb2 Sb 0.95020 0.29545 0.37718 1.00000
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