Ca2Ga2H5
Alexandria ALEXAlex-ID: agm007295342 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_509_spg10
Ca(GaH)2 CaH10 CaH2
2024-03-15 18:45:48.245390
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007295342).
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 agm007295342
data_agm007295342
_cell_length_a 4.30675
_cell_length_b 5.04874
_cell_length_c 5.93050
_cell_angle_alpha 107.22468
_cell_angle_beta 90.96686
_cell_angle_gamma 95.17052
_cell_volume 122.53740
_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
Ca1 Ca 0.69871 0.23276 0.28441 1.00000
Ca2 Ca 0.30129 0.76724 0.71559 1.00000
Ga1 Ga 0.91802 0.28555 0.81309 1.00000
Ga2 Ga 0.08198 0.71445 0.18691 1.00000
H1 H 0.44991 0.79591 0.11843 1.00000
H2 H 0.55009 0.20409 0.88157 1.00000
H3 H 0.76618 0.53185 0.65087 1.00000
H4 H 0.23382 0.46815 0.34913 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Get direct link