Sr2H7Cl
Alexandria ALEXAlex-ID: agm006207809 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1617_spg1
Sr7(H6Cl)2 SrH10 SrHCl
2023-12-18 00:56:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207809).
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 agm006207809
data_agm006207809
_cell_length_a 7.60590
_cell_length_b 4.39393
_cell_length_c 8.12629
_cell_angle_alpha 109.87516
_cell_angle_beta 134.06552
_cell_angle_gamma 102.23947
_cell_volume 137.28342
_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 0.18417 0.25903 0.37769 1.00000
H2 H 0.65984 0.66224 0.97863 1.00000
H3 H 0.63797 0.54322 0.86373 1.00000
H4 H 0.20391 0.41861 0.35861 1.00000
H5 H 0.31381 0.90780 0.42801 1.00000
H6 H 0.59471 0.34216 0.16208 1.00000
H7 H 0.07900 0.34012 0.64903 1.00000
Cl1 Cl 0.91502 0.86774 0.78728 1.00000
Sr1 Sr 0.17813 0.84881 0.60685 1.00000
Sr2 Sr 0.46583 0.86767 0.25625 1.00000
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