H7Ru2N
Alexandria ALEXAlex-ID: agm006196137 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1435_spg1
H9N Ru H3N
2024-02-01 13:39:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006196137).
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 agm006196137
data_agm006196137
_cell_length_a 8.91809
_cell_length_b 9.73256
_cell_length_c 8.47732
_cell_angle_alpha 146.58426
_cell_angle_beta 30.72131
_cell_angle_gamma 163.93257
_cell_volume 103.84147
_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
H1 H 0.22525 0.71610 0.02063 1.00000
H2 H 0.70736 0.71994 0.94888 1.00000
H3 H 0.11350 0.33205 0.72986 1.00000
H4 H 0.24386 0.34873 0.29026 1.00000
H5 H 0.24525 0.84954 0.79023 1.00000
H6 H 0.07590 0.42600 0.03038 1.00000
H7 H 0.70322 0.21864 0.45146 1.00000
N1 N 0.96824 0.37809 0.96620 1.00000
Ru1 Ru 0.47548 0.28448 0.87017 1.00000
Ru2 Ru 0.47432 0.78381 0.37009 1.00000
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