In(BH3)2
Alexandria ALEXAlex-ID: agm005682375 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1714_spg12
BH9 In(BH)6 In
2023-06-14 21:17:41.590462
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005682375).
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 agm005682375
data_agm005682375
_cell_length_a 5.50925
_cell_length_b 5.76440
_cell_length_c 5.58829
_cell_angle_alpha 47.70388
_cell_angle_beta 54.71847
_cell_angle_gamma 48.27774
_cell_volume 95.23434
_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
In1 In 0.00000 0.00000 0.00000 1.00000
B1 B 0.50511 0.83881 0.51053 1.00000
B2 B 0.49489 0.16119 0.48947 1.00000
H1 H 0.23527 0.83636 0.61416 1.00000
H2 H 0.59925 0.84033 0.24521 1.00000
H3 H 0.69246 0.53671 0.69415 1.00000
H4 H 0.76474 0.16364 0.38584 1.00000
H5 H 0.40075 0.15967 0.75479 1.00000
H6 H 0.30754 0.46329 0.30585 1.00000
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