Ce2Ga2H7
Alexandria ALEXAlex-ID: agm006342005 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C7_1_spg12
GaH6 CeH3 Ga
2024-02-24 17:00:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006342005).
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
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# CIF generated by HEAS from Alexandria entry agm006342005
data_agm006342005
_cell_length_a 5.86707
_cell_length_b 5.86707
_cell_length_c 3.91307
_cell_angle_alpha 75.78839
_cell_angle_beta 75.78839
_cell_angle_gamma 99.82405
_cell_volume 122.69875
_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
Ce1 Ce 0.73716 0.26284 0.50000 1.00000
Ce2 Ce 0.26284 0.73716 0.50000 1.00000
Ga1 Ga 0.76849 0.76849 0.88255 1.00000
Ga2 Ga 0.23151 0.23151 0.11745 1.00000
H1 H 0.05981 0.59305 0.14172 1.00000
H2 H 0.40695 0.94019 0.85828 1.00000
H3 H 0.94019 0.40695 0.85828 1.00000
H4 H 0.59305 0.05981 0.14172 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
H6 H 0.43777 0.43777 0.73864 1.00000
H7 H 0.56223 0.56223 0.26136 1.00000
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