Sr4H2Cl5
Alexandria ALEXAlex-ID: agm006344512 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C5_84_spg2
SrHCl Sr SrCl2
2024-02-23 19:18:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006344512).
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 agm006344512
data_agm006344512
_cell_length_a 9.54576
_cell_length_b 9.54576
_cell_length_c 7.99690
_cell_angle_alpha 71.31352
_cell_angle_beta 71.31352
_cell_angle_gamma 26.34892
_cell_volume 305.40851
_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 0.30734 0.30734 0.20812 1.00000
Sr2 Sr 0.00818 0.00818 0.75228 1.00000
Sr3 Sr 0.69266 0.69266 0.79188 1.00000
Sr4 Sr 0.99182 0.99182 0.24772 1.00000
H1 H 0.43889 0.43889 0.17112 1.00000
H2 H 0.56111 0.56111 0.82888 1.00000
Cl1 Cl 0.83336 0.83336 0.93054 1.00000
Cl2 Cl 0.16664 0.16664 0.06946 1.00000
Cl3 Cl 0.82643 0.82643 0.44055 1.00000
Cl4 Cl 0.50000 0.50000 0.50000 1.00000
Cl5 Cl 0.17357 0.17357 0.55945 1.00000
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