Sr5Ge5H2
Alexandria ALEXAlex-ID: agm006358024 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_0_spg12
SrGe2 SrGe SrH2
2024-02-23 21:47:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006358024).
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 agm006358024
data_agm006358024
_cell_length_a 6.75560
_cell_length_b 6.75560
_cell_length_c 12.17448
_cell_angle_alpha 64.61818
_cell_angle_beta 64.61818
_cell_angle_gamma 37.82088
_cell_volume 303.72296
_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 0.86258 0.86258 0.35362 1.00000
Sr2 Sr 0.36464 0.36464 0.82950 1.00000
Sr3 Sr 0.63536 0.63536 0.17050 1.00000
Sr4 Sr 0.13742 0.13742 0.64638 1.00000
Sr5 Sr 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.50000 0.50000 0.50000 1.00000
Ge2 Ge 0.32323 0.32323 0.17215 1.00000
Ge3 Ge 0.14952 0.14952 0.37933 1.00000
Ge4 Ge 0.85048 0.85048 0.62067 1.00000
Ge5 Ge 0.67677 0.67677 0.82785 1.00000
H1 H 0.95047 0.95047 0.83161 1.00000
H2 H 0.04953 0.04953 0.16839 1.00000
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