SrMn(CuH4)2
Alexandria ALEXAlex-ID: agm007478714 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1060_spg2
SrMnCuH6 Cu CuH4
2024-02-08 05:37:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007478714).
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 agm007478714
data_agm007478714
_cell_length_a 4.54884
_cell_length_b 4.54884
_cell_length_c 6.15420
_cell_angle_alpha 64.83271
_cell_angle_beta 64.83271
_cell_angle_gamma 65.40990
_cell_volume 99.91743
_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 0.49046 0.50954 0.00000 1.00000
Mn1 Mn 0.98673 0.01327 0.50000 1.00000
Cu1 Cu 0.27209 0.32973 0.62559 1.00000
Cu2 Cu 0.67027 0.72791 0.37441 1.00000
H1 H 0.88975 0.01880 0.25584 1.00000
H2 H 0.88807 0.67412 0.56593 1.00000
H3 H 0.98120 0.11025 0.74416 1.00000
H4 H 0.32588 0.11193 0.43407 1.00000
H5 H 0.60311 0.07534 0.72768 1.00000
H6 H 0.32576 0.85362 0.28069 1.00000
H7 H 0.14638 0.67424 0.71931 1.00000
H8 H 0.92466 0.39689 0.27232 1.00000
Get direct link