Sr2(CuH3)3
Alexandria ALEXAlex-ID: agm006192563 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_1477_spg1
CuH4 SrCuH3 Cu
2024-02-01 23:20:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006192563).
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 agm006192563
data_agm006192563
_cell_length_a 7.08202
_cell_length_b 4.49025
_cell_length_c 6.80992
_cell_angle_alpha 110.30390
_cell_angle_beta 114.72913
_cell_angle_gamma 108.35344
_cell_volume 155.26146
_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 0.30838 0.58831 0.72122 1.00000
Sr2 Sr 0.61235 0.58107 0.35846 1.00000
Cu1 Cu 0.23407 0.81718 0.21385 1.00000
Cu2 Cu 0.00594 0.04697 0.94120 1.00000
Cu3 Cu 0.70691 0.35980 0.83034 1.00000
H1 H 0.89313 0.08015 0.26796 1.00000
H2 H 0.84465 0.15827 0.34307 1.00000
H3 H 0.45201 0.89495 0.16295 1.00000
H4 H 0.43252 0.94906 0.52423 1.00000
H5 H 0.70877 0.70574 0.78618 1.00000
H6 H 0.19462 0.17632 0.24892 1.00000
H7 H 0.06847 0.92977 0.71967 1.00000
H8 H 0.97983 0.39699 0.92515 1.00000
H9 H 0.55835 0.31541 0.95679 1.00000
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