CsH7Ru2
Alexandria ALEXAlex-ID: agm006196115 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1085_spg47
H8Ru3 Cs2H12Ru Ru
2023-12-02 19:02:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006196115).
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 agm006196115
data_agm006196115
_cell_length_a 4.44560
_cell_length_b 3.12907
_cell_length_c 9.90678
_cell_angle_alpha 108.51287
_cell_angle_beta 83.52785
_cell_angle_gamma 134.64458
_cell_volume 91.72143
_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
Cs1 Cs 0.02918 0.41728 0.99636 1.00000
H1 H 0.67354 0.48374 0.44074 1.00000
H2 H 0.11890 0.10992 0.58720 1.00000
H3 H 0.41909 0.57885 0.74773 1.00000
H4 H 0.15806 0.30075 0.25667 1.00000
H5 H 0.25618 0.56511 0.45430 1.00000
H6 H 0.65474 0.26601 0.25146 1.00000
H7 H 0.88595 0.51213 0.73303 1.00000
Ru1 Ru 0.33713 0.87610 0.64578 1.00000
Ru2 Ru 0.69963 0.94749 0.35489 1.00000
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