GaBH6
Alexandria ALEXAlex-ID: agm070918296 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1375_spg1
Ga(BH)6 BH9 Ga
2024-08-16 00:29:19.056726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070918296).
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 agm070918296
data_agm070918296
_cell_length_a 6.17434
_cell_length_b 8.52825
_cell_length_c 7.84602
_cell_angle_alpha 100.47475
_cell_angle_beta 97.23269
_cell_angle_gamma 100.69947
_cell_volume 393.70784
_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
Ga1 Ga 0.32190 0.35407 0.27085 1.00000
Ga2 Ga 0.21158 0.86661 0.70888 1.00000
Ga3 Ga 0.42363 0.13140 0.86927 1.00000
Ga4 Ga 0.92788 0.36649 0.03367 1.00000
B1 B 0.87625 0.79243 0.77920 1.00000
B2 B 0.65896 0.52294 0.12004 1.00000
B3 B 0.26053 0.69287 0.47806 1.00000
B4 B 0.33968 0.25940 0.63247 1.00000
H1 H 0.34175 0.18012 0.05809 1.00000
H2 H 0.73249 0.67175 0.71958 1.00000
H3 H 0.94467 0.37151 0.65481 1.00000
H4 H 0.19949 0.82403 0.46443 1.00000
H5 H 0.15886 0.18710 0.54786 1.00000
H6 H 0.36354 0.88634 0.13289 1.00000
H7 H 0.43747 0.70263 0.42701 1.00000
H8 H 0.71426 0.41976 0.20345 1.00000
H9 H 0.90845 0.05875 0.28960 1.00000
H10 H 0.90996 0.85469 0.64682 1.00000
H11 H 0.74936 0.65828 0.20050 1.00000
H12 H 0.31022 0.28682 0.79335 1.00000
H13 H 0.84441 0.89730 0.89286 1.00000
H14 H 0.71344 0.49621 0.96963 1.00000
H15 H 0.48735 0.18601 0.60198 1.00000
H16 H 0.87457 0.00628 0.19836 1.00000
H17 H 0.39875 0.40180 0.62486 1.00000
H18 H 0.69797 0.18311 0.91238 1.00000
H19 H 0.30297 0.67722 0.63623 1.00000
H20 H 0.44334 0.82984 0.13665 1.00000
H21 H 0.10353 0.58304 0.40844 1.00000
H22 H 0.45309 0.49910 0.08602 1.00000
H23 H 0.04453 0.74178 0.83939 1.00000
H24 H 0.84510 0.41033 0.66238 1.00000
