SrGa2H7
Alexandria ALEXAlex-ID: agm006201076 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_462_spg44
Sr(GaH4)2 Sr(GaH)2
2024-01-01 05:29:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201076).
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 agm006201076
data_agm006201076
_cell_length_a 6.69123
_cell_length_b 6.72634
_cell_length_c 6.60497
_cell_angle_alpha 137.65512
_cell_angle_beta 35.17093
_cell_angle_gamma 124.43263
_cell_volume 114.76593
_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
Sr1 Sr 0.99287 0.36944 0.95389 1.00000
Ga1 Ga 0.23973 0.02961 0.06560 1.00000
Ga2 Ga 0.65339 0.72393 0.94487 1.00000
H1 H 0.88846 0.00052 0.46303 1.00000
H2 H 0.04076 0.81692 0.57098 1.00000
H3 H 0.58872 0.42281 0.63432 1.00000
H4 H 0.20596 0.17059 0.98314 1.00000
H5 H 0.41964 0.69572 0.66492 1.00000
H6 H 0.42784 0.23537 0.22324 1.00000
H7 H 0.77503 0.59246 0.96411 1.00000
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