CsIn(CuH4)2
Alexandria ALEXAlex-ID: agm007615735 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_337_spg12
CsH10 CsInH2 Cu In
2024-02-10 18:23:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007615735).
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 agm007615735
data_agm007615735
_cell_length_a 5.28160
_cell_length_b 6.32992
_cell_length_c 6.83262
_cell_angle_alpha 73.82828
_cell_angle_beta 70.09083
_cell_angle_gamma 55.23261
_cell_volume 175.37852
_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
Cs1 Cs 0.50000 0.50000 0.50000 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.65833 0.85236 0.85649 1.00000
Cu2 Cu 0.34167 0.14764 0.14351 1.00000
H1 H 0.69744 0.83407 0.63039 1.00000
H2 H 0.32518 0.18265 0.89898 1.00000
H3 H 0.30256 0.16593 0.36961 1.00000
H4 H 0.92084 0.94134 0.76437 1.00000
H5 H 0.07916 0.05866 0.23563 1.00000
H6 H 0.44348 0.71205 0.95200 1.00000
H7 H 0.55652 0.28795 0.04800 1.00000
H8 H 0.67482 0.81735 0.10102 1.00000
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