SrH12Ru3Rh4
Alexandria ALEXAlex-ID: agm006720006 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D12_106_spg155
Sr3(H6Rh)2 H8Rh3 Ru RuRh
2024-02-23 17:36:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006720006).
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 agm006720006
data_agm006720006
_cell_length_a 6.57111
_cell_length_b 5.52721
_cell_length_c 5.94932
_cell_angle_alpha 111.63132
_cell_angle_beta 107.79264
_cell_angle_gamma 104.17974
_cell_volume 174.94920
_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
Sr1 Sr 0.89275 0.94680 0.91075 1.00000
H1 H 0.23900 0.62184 0.33819 1.00000
H2 H 0.89313 0.50624 0.04006 1.00000
H3 H 0.55812 0.11344 0.90100 1.00000
H4 H 0.16572 0.92426 0.65647 1.00000
H5 H 0.68173 0.03497 0.49952 1.00000
H6 H 0.97653 0.52314 0.70051 1.00000
H7 H 0.43455 0.68414 0.94200 1.00000
H8 H 0.15221 0.31374 0.46602 1.00000
H9 H 0.34269 0.35809 0.07916 1.00000
H10 H 0.28304 0.93707 0.20521 1.00000
H11 H 0.69873 0.48619 0.41309 1.00000
H12 H 0.56611 0.41694 0.72736 1.00000
Ru1 Ru 0.98822 0.53894 0.42229 1.00000
Ru2 Ru 0.39392 0.99766 0.54948 1.00000
Ru3 Ru 0.61618 0.50884 0.06226 1.00000
Rh1 Rh 0.57167 0.05170 0.18615 1.00000
Rh2 Rh 0.16862 0.55395 0.99328 1.00000
Rh3 Rh 0.96578 0.04387 0.48216 1.00000
Rh4 Rh 0.41131 0.43820 0.42502 1.00000
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