GaH8CN
Alexandria ALEXAlex-ID: agm091797463 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD8_39_spg15
H9N H4C H3N Ga
2025-05-27 08:51:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091797463).
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 agm091797463
data_agm091797463
_cell_length_a 9.87303
_cell_length_b 9.87303
_cell_length_c 12.88474
_cell_angle_alpha 51.09619
_cell_angle_beta 128.90381
_cell_angle_gamma 150.30316
_cell_volume 472.99848
_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 0.94122 0.69534 0.05981 1.00000
Ga2 Ga 0.05878 0.30466 0.94019 1.00000
Ga3 Ga 0.69534 0.94122 0.44019 1.00000
Ga4 Ga 0.30466 0.05878 0.55981 1.00000
H1 H 0.20424 0.01702 0.05687 1.00000
H2 H 0.79576 0.98298 0.94313 1.00000
H3 H 0.01702 0.20424 0.44313 1.00000
H4 H 0.98298 0.79576 0.55687 1.00000
H5 H 0.00756 0.55190 0.12937 1.00000
H6 H 0.99244 0.44810 0.87063 1.00000
H7 H 0.55190 0.00756 0.37063 1.00000
H8 H 0.44810 0.99244 0.62937 1.00000
H9 H 0.70751 0.60119 0.92326 1.00000
H10 H 0.29249 0.39881 0.07674 1.00000
H11 H 0.60119 0.70751 0.57674 1.00000
H12 H 0.39881 0.29249 0.42326 1.00000
H13 H 0.65766 0.31997 0.24788 1.00000
H14 H 0.34234 0.68003 0.75212 1.00000
H15 H 0.31997 0.65766 0.25212 1.00000
H16 H 0.68003 0.34234 0.74788 1.00000
H17 H 0.57940 0.46736 0.14321 1.00000
H18 H 0.42060 0.53264 0.85679 1.00000
H19 H 0.46736 0.57940 0.35679 1.00000
H20 H 0.53264 0.42060 0.64321 1.00000
H21 H 0.81048 0.56603 0.36625 1.00000
H22 H 0.18952 0.43397 0.63375 1.00000
H23 H 0.56603 0.81048 0.13375 1.00000
H24 H 0.43397 0.18952 0.86625 1.00000
H25 H 0.09957 0.71604 0.35681 1.00000
H26 H 0.90043 0.28396 0.64319 1.00000
H27 H 0.71604 0.09957 0.14319 1.00000
H28 H 0.28396 0.90043 0.85681 1.00000
H29 H 0.01852 0.87841 0.24230 1.00000
H30 H 0.98148 0.12159 0.75770 1.00000
H31 H 0.87841 0.01852 0.25770 1.00000
H32 H 0.12159 0.98148 0.74230 1.00000
C1 C 0.92810 0.67642 0.29721 1.00000
C2 C 0.07190 0.32358 0.70279 1.00000
C3 C 0.67642 0.92810 0.20279 1.00000
C4 C 0.32358 0.07190 0.79721 1.00000
N1 N 0.74475 0.51108 0.19657 1.00000
N2 N 0.25525 0.48892 0.80343 1.00000
N3 N 0.51108 0.74475 0.30343 1.00000
N4 N 0.48892 0.25525 0.69657 1.00000
