Sr2GaH
Alexandria ALEXAlex-ID: agm006580972 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_8778_spg2
Sr8Ga7 Sr SrH2
2024-03-01 11:52:19.038514
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006580972).
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 agm006580972
data_agm006580972
_cell_length_a 8.09201
_cell_length_b 8.09201
_cell_length_c 8.09201
_cell_angle_alpha 147.97458
_cell_angle_beta 123.64041
_cell_angle_gamma 66.30977
_cell_volume 231.14922
_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 0.24932 0.00000 0.24932 1.00000
Sr2 Sr 0.78384 0.28384 0.50000 1.00000
Sr3 Sr 0.21616 0.71616 0.50000 1.00000
Sr4 Sr 0.75068 0.00000 0.75068 1.00000
Ga1 Ga 0.60202 0.60202 0.00000 1.00000
Ga2 Ga 0.39798 0.39798 0.00000 1.00000
H1 H 0.11805 0.11805 0.00000 1.00000
H2 H 0.88195 0.88195 0.00000 1.00000
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