Al(B3H)2
Alexandria ALEXAlex-ID: agm005693209 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2420_spg2
Al23B50 B9H11 B
2023-07-07 06:54:07.666270
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693209).
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 agm005693209
data_agm005693209
_cell_length_a 6.37212
_cell_length_b 3.15031
_cell_length_c 4.78360
_cell_angle_alpha 115.29894
_cell_angle_beta 83.02174
_cell_angle_gamma 82.19328
_cell_volume 84.26655
_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
Al1 Al 0.00000 0.00000 0.00000 1.00000
B1 B 0.52995 0.75811 0.13819 1.00000
B2 B 0.52168 0.74745 0.50285 1.00000
B3 B 0.64442 0.23545 0.15750 1.00000
B4 B 0.47005 0.24189 0.86181 1.00000
B5 B 0.47832 0.25255 0.49715 1.00000
B6 B 0.35558 0.76455 0.84250 1.00000
H1 H 0.00577 0.69660 0.25407 1.00000
H2 H 0.99423 0.30340 0.74593 1.00000
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