CsSc(ZnH4)2
Alexandria ALEXAlex-ID: agm007441880 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_757_spg148
CsZnH3 ScH3 ZnH2
2025-05-28 05:39:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007441880).
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 agm007441880
data_agm007441880
_cell_length_a 5.19504
_cell_length_b 5.19504
_cell_length_c 7.43574
_cell_angle_alpha 69.21857
_cell_angle_beta 110.78143
_cell_angle_gamma 121.08659
_cell_volume 156.94429
_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 0.44054 0.44054 0.50000 1.00000
Sc1 Sc 0.87509 0.87509 0.00000 1.00000
Zn1 Zn 0.23190 0.65269 0.85307 1.00000
Zn2 Zn 0.65269 0.23190 0.14693 1.00000
H1 H 0.66877 0.46512 0.92692 1.00000
H2 H 0.54167 0.86587 0.74350 1.00000
H3 H 0.06014 0.87712 0.79447 1.00000
H4 H 0.46512 0.66877 0.07308 1.00000
H5 H 0.87712 0.06014 0.20553 1.00000
H6 H 0.30958 0.00909 0.19574 1.00000
H7 H 0.86587 0.54167 0.25650 1.00000
H8 H 0.00909 0.30958 0.80426 1.00000
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