BaAl2H8Ru
Alexandria ALEXAlex-ID: agm007201527 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_4_spg155
AlH9 Ba2H6Ru BaAlH5 Al2Ru
2025-05-27 06:32:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007201527).
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 agm007201527
data_agm007201527
_cell_length_a 4.33044
_cell_length_b 4.59066
_cell_length_c 7.21089
_cell_angle_alpha 81.52593
_cell_angle_beta 69.84048
_cell_angle_gamma 69.89968
_cell_volume 126.30304
_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
Ba1 Ba 0.50000 0.50000 0.50000 1.00000
Al1 Al 0.65729 0.79281 0.84538 1.00000
Al2 Al 0.34271 0.20719 0.15462 1.00000
H1 H 0.81516 0.84351 0.59317 1.00000
H2 H 0.26785 0.09985 0.78146 1.00000
H3 H 0.18484 0.15649 0.40683 1.00000
H4 H 0.08276 0.67594 0.88055 1.00000
H5 H 0.91724 0.32406 0.11945 1.00000
H6 H 0.71361 0.40753 0.82676 1.00000
H7 H 0.28639 0.59247 0.17324 1.00000
H8 H 0.73215 0.90015 0.21854 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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