Hf2Ga2H5
Alexandria ALEXAlex-ID: agm007188955 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1341_spg12
HfGa3 Hf4H15
2024-01-27 17:05:06.988820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007188955).
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 agm007188955
data_agm007188955
_cell_length_a 5.84090
_cell_length_b 5.84090
_cell_length_c 6.96549
_cell_angle_alpha 50.27792
_cell_angle_beta 50.27792
_cell_angle_gamma 31.59824
_cell_volume 93.08407
_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
Hf1 Hf 0.57167 0.57167 0.71715 1.00000
Hf2 Hf 0.42833 0.42833 0.28285 1.00000
Ga1 Ga 0.85213 0.85213 0.73394 1.00000
Ga2 Ga 0.14787 0.14787 0.26606 1.00000
H1 H 0.63816 0.63816 0.91784 1.00000
H2 H 0.36184 0.36184 0.08216 1.00000
H3 H 0.79121 0.79121 0.36953 1.00000
H4 H 0.20879 0.20879 0.63047 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Get direct link