Sr(HO)2
Alexandria ALEXAlex-ID: agm074793243 · Space group: P6_2 (#171)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_5916_spg171
Sr(HO)2
2025-02-27 07:26:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm074793243).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm074793243
data_agm074793243
_cell_length_a 3.76703
_cell_length_b 7.98331
_cell_length_c 7.98705
_cell_angle_alpha 119.99969
_cell_angle_beta 89.70287
_cell_angle_gamma 90.62451
_cell_volume 208.00516
_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 0.08683 0.00068 0.50091 1.00000
Sr2 Sr 0.75316 0.50066 0.50099 1.00000
Sr3 Sr 0.41968 0.50110 0.00106 1.00000
H1 H 0.81640 0.85761 0.15337 1.00000
H2 H 0.47225 0.84257 0.70001 1.00000
H3 H 0.14608 0.29556 0.14682 1.00000
H4 H 0.80621 0.14540 0.84636 1.00000
H5 H 0.48439 0.14845 0.29387 1.00000
H6 H 0.14387 0.70184 0.85841 1.00000
O1 O 0.59172 0.85192 0.59593 1.00000
O2 O 0.26190 0.40527 0.25658 1.00000
O3 O 0.93346 0.74590 0.14695 1.00000
O4 O 0.59986 0.14744 0.40256 1.00000
O5 O 0.26262 0.59839 0.74530 1.00000
O6 O 0.92431 0.25721 0.85088 1.00000
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