Sr2Ca(H4O3)2
Alexandria ALEXAlex-ID: agm005286992 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6D8_31_spg1
CaH10 H4O Ca(HO)2 Sr(HO)2
2023-05-07 11:34:02.235726
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286992).
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 agm005286992
data_agm005286992
_cell_length_a 3.87065
_cell_length_b 7.41391
_cell_length_c 8.76032
_cell_angle_alpha 96.47492
_cell_angle_beta 95.43509
_cell_angle_gamma 100.90494
_cell_volume 243.53666
_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 0.02863 0.19411 0.66374 1.00000
Sr2 Sr 0.96924 0.80789 0.13086 1.00000
Ca1 Ca 0.45705 0.53349 0.41311 1.00000
H1 H 0.70691 0.85642 0.78776 1.00000
H2 H 0.11534 0.84895 0.79059 1.00000
H3 H 0.31284 0.15273 0.30705 1.00000
H4 H 0.89911 0.16005 0.29548 1.00000
H5 H 0.36696 0.88519 0.59624 1.00000
H6 H 0.56007 0.13197 0.10325 1.00000
H7 H 0.69891 0.52381 0.71525 1.00000
H8 H 0.34299 0.48398 0.08617 1.00000
O1 O 0.89969 0.80040 0.84157 1.00000
O2 O 0.13655 0.21140 0.36564 1.00000
O3 O 0.44526 0.96959 0.69537 1.00000
O4 O 0.55684 0.05329 0.18698 1.00000
O5 O 0.60032 0.41405 0.63893 1.00000
O6 O 0.40331 0.59769 0.16123 1.00000
Get direct link