Zn2(BH3)3
Alexandria ALEXAlex-ID: agm006192243 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_690_spg1
Zn(BH4)2 B5H7 Zn
2024-02-01 17:04:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006192243).
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 agm006192243
data_agm006192243
_cell_length_a 5.41739
_cell_length_b 5.99148
_cell_length_c 4.84271
_cell_angle_alpha 96.14009
_cell_angle_beta 69.98821
_cell_angle_gamma 113.66443
_cell_volume 135.19127
_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
Zn1 Zn 0.85366 0.34490 0.21344 1.00000
Zn2 Zn 0.63012 0.43473 0.85848 1.00000
B1 B 0.43358 0.77028 0.94827 1.00000
B2 B 0.18484 0.14984 0.04783 1.00000
B3 B 0.46241 0.11039 0.12311 1.00000
H1 H 0.03046 0.96256 0.97459 1.00000
H2 H 0.06793 0.21512 0.29759 1.00000
H3 H 0.61398 0.00389 0.93564 1.00000
H4 H 0.84609 0.51551 0.52478 1.00000
H5 H 0.46366 0.74742 0.69016 1.00000
H6 H 0.41212 0.05777 0.37683 1.00000
H7 H 0.24262 0.30262 0.85149 1.00000
H8 H 0.18641 0.69116 0.10864 1.00000
H9 H 0.57213 0.69382 0.04914 1.00000
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