Ga2Ni2H7
Alexandria ALEXAlex-ID: agm098340609 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1869_spg1
H2 Ga3Ni2 GaNi3H
2025-04-29 18:55:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098340609).
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 agm098340609
data_agm098340609
_cell_length_a 3.11059
_cell_length_b 5.91567
_cell_length_c 10.57255
_cell_angle_alpha 76.35186
_cell_angle_beta 94.06182
_cell_angle_gamma 94.88991
_cell_volume 188.10795
_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 0.41272 0.14416 0.63741 1.00000
Ga2 Ga 0.61207 0.06804 0.31021 1.00000
Ga3 Ga 0.82522 0.38873 0.84195 1.00000
Ga4 Ga 0.05192 0.51654 0.15472 1.00000
Ni1 Ni 0.58069 0.97744 0.86624 1.00000
Ni2 Ni 0.58006 0.85679 0.12121 1.00000
Ni3 Ni 0.32524 0.67539 0.70457 1.00000
Ni4 Ni 0.59602 0.46010 0.33188 1.00000
H1 H 0.44882 0.70955 0.85157 1.00000
H2 H 0.08808 0.87930 0.13985 1.00000
H3 H 0.81697 0.69779 0.65822 1.00000
H4 H 0.92277 0.58735 0.42520 1.00000
H5 H 0.62435 0.10853 0.14079 1.00000
H6 H 0.08987 0.04029 0.84245 1.00000
H7 H 0.67289 0.62571 0.43799 1.00000
H8 H 0.24975 0.44986 0.63971 1.00000
H9 H 0.59992 0.07729 0.99491 1.00000
H10 H 0.54431 0.75216 0.99291 1.00000
H11 H 0.27652 0.86770 0.57526 1.00000
H12 H 0.59038 0.24058 0.45030 1.00000
H13 H 0.10448 0.95317 0.36947 1.00000
H14 H 0.98695 0.42352 0.01318 1.00000
