CeGa2H7
Alexandria ALEXAlex-ID: agm006201183 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_605_spg12
GaH6 CeH3 Ga
2024-01-01 07:43:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201183).
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 agm006201183
data_agm006201183
_cell_length_a 6.36001
_cell_length_b 6.36458
_cell_length_c 6.23737
_cell_angle_alpha 139.85272
_cell_angle_beta 40.11803
_cell_angle_gamma 121.75710
_cell_volume 103.85999
_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
H1 H 0.00254 0.92987 0.33161 1.00000
H2 H 0.92500 0.78113 0.62756 1.00000
H3 H 0.55077 0.40165 0.62390 1.00000
H4 H 0.14790 0.18940 0.04350 1.00000
H5 H 0.56418 0.75652 0.55616 1.00000
H6 H 0.40329 0.31968 0.32456 1.00000
H7 H 0.79077 0.54087 0.91441 1.00000
Ga1 Ga 0.28097 0.04675 0.04903 1.00000
Ga2 Ga 0.57744 0.75104 0.04210 1.00000
Ce1 Ce 0.98954 0.34048 0.95534 1.00000
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