Ca2Ga2H5
Alexandria ALEXAlex-ID: agm007338744 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1685_spg2
Ca(GaH)2 CaH10 CaH2
2024-03-26 04:27:55.582707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007338744).
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 agm007338744
data_agm007338744
_cell_length_a 4.64174
_cell_length_b 3.94256
_cell_length_c 7.88739
_cell_angle_alpha 89.80954
_cell_angle_beta 89.05013
_cell_angle_gamma 67.54383
_cell_volume 133.37775
_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 0.91348 0.07028 0.01638 1.00000
Ca2 Ca 0.88566 0.08153 0.50963 1.00000
Ga1 Ga 0.46178 0.70914 0.27160 1.00000
Ga2 Ga 0.27901 0.40793 0.73852 1.00000
H1 H 0.62419 0.22699 0.26061 1.00000
H2 H 0.22315 0.42540 0.95553 1.00000
H3 H 0.78090 0.63523 0.39622 1.00000
H4 H 0.66229 0.68989 0.08302 1.00000
H5 H 0.67177 0.24747 0.76793 1.00000
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