ScH6Ru
Alexandria ALEXAlex-ID: agm079484990 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_112_spg2
ScH5Ru H2
2025-06-26 18:29:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079484990).
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 agm079484990
data_agm079484990
_cell_length_a 4.45287
_cell_length_b 3.68937
_cell_length_c 4.75685
_cell_angle_alpha 112.81449
_cell_angle_beta 115.23562
_cell_angle_gamma 89.99335
_cell_volume 63.86657
_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
Sc1 Sc 0.73289 0.11481 0.47973 1.00000
H1 H 0.14163 0.02620 0.30244 1.00000
H2 H 0.47521 0.63359 0.51728 1.00000
H3 H 0.71438 0.13342 0.97971 1.00000
H4 H 0.98692 0.66742 0.58498 1.00000
H5 H 0.71468 0.59655 0.97954 1.00000
H6 H 0.18143 0.33771 0.92563 1.00000
Ru1 Ru 0.05287 0.49030 0.23068 1.00000
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