AcB2H7
Alexandria ALEXAlex-ID: agm006197865 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_999_spg8
AcH3 AcB6 Ac(BH4)3
2023-10-17 12:09:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006197865).
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 agm006197865
data_agm006197865
_cell_length_a 6.84020
_cell_length_b 10.79224
_cell_length_c 6.63438
_cell_angle_alpha 47.49263
_cell_angle_beta 51.87717
_cell_angle_gamma 17.60719
_cell_volume 108.42750
_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 0.62941 0.52245 0.43688 1.00000
H2 H 0.37110 0.47715 0.46327 1.00000
H3 H 0.17404 0.24687 0.15290 1.00000
H4 H 0.82659 0.75273 0.74725 1.00000
H5 H 0.05793 0.46902 0.22469 1.00000
H6 H 0.94214 0.53092 0.67537 1.00000
H7 H 0.49802 0.50133 0.94936 1.00000
Ac1 Ac 0.00045 0.99973 0.95020 1.00000
B1 B 0.85656 0.73168 0.56362 1.00000
B2 B 0.14377 0.26811 0.33648 1.00000
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