H5(RuC)2
Alexandria ALEXAlex-ID: agm007019231 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_536_spg2
C Ru H4C
2024-01-03 11:40:42.961546
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007019231).
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 agm007019231
data_agm007019231
_cell_length_a 4.13337
_cell_length_b 5.66818
_cell_length_c 3.53149
_cell_angle_alpha 90.40457
_cell_angle_beta 89.76721
_cell_angle_gamma 109.37628
_cell_volume 78.04958
_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 0.15319 0.33652 0.97008 1.00000
Ru2 Ru 0.84681 0.66348 0.02992 1.00000
C1 C 0.33463 0.69997 0.08346 1.00000
C2 C 0.66537 0.30003 0.91654 1.00000
H1 H 0.48960 0.85678 0.26748 1.00000
H2 H 0.51040 0.14322 0.73252 1.00000
H3 H 0.13549 0.26475 0.42442 1.00000
H4 H 0.86451 0.73525 0.57558 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Get direct link