SrH4O3
Alexandria ALEXAlex-ID: agm003220768 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_113_spg26
Sr(HO)2 H2O
2021-12-06 07:35:24.776980
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003220768).
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 agm003220768
data_agm003220768
_cell_length_a 3.69839
_cell_length_b 6.20337
_cell_length_c 6.74014
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 154.63559
_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 0.20927 0.88082 0.32997 1.00000
H2 H 0.79073 0.11918 0.82997 1.00000
H3 H 0.20927 0.11918 0.82997 1.00000
H4 H 0.79073 0.88082 0.32997 1.00000
H5 H 0.50000 0.03243 0.10497 1.00000
H6 H 0.50000 0.96757 0.60497 1.00000
H7 H 0.50000 0.70437 0.09731 1.00000
H8 H 0.50000 0.29563 0.59731 1.00000
O1 O 0.00000 0.78682 0.37540 1.00000
O2 O 0.00000 0.21318 0.87540 1.00000
O3 O 0.50000 0.06039 0.24740 1.00000
O4 O 0.50000 0.93961 0.74740 1.00000
O5 O 0.50000 0.56251 0.03462 1.00000
O6 O 0.50000 0.43749 0.53462 1.00000
Sr1 Sr 0.00000 0.37096 0.24915 1.00000
Sr2 Sr 0.00000 0.62904 0.74915 1.00000
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