NaSc(ZnH4)2
Alexandria ALEXAlex-ID: agm007443210 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_325_spg164
ScH3 Na2ZnH4 ZnH2
2024-02-07 20:42:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007443210).
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 agm007443210
data_agm007443210
_cell_length_a 5.11357
_cell_length_b 5.11357
_cell_length_c 6.53322
_cell_angle_alpha 87.89813
_cell_angle_beta 87.89813
_cell_angle_gamma 58.94300
_cell_volume 146.21595
_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
Na1 Na 0.04780 0.95220 0.50000 1.00000
Sc1 Sc 0.90906 0.09094 0.00000 1.00000
Zn1 Zn 0.31354 0.35121 0.16465 1.00000
Zn2 Zn 0.64879 0.68646 0.83535 1.00000
H1 H 0.73488 0.52725 0.06700 1.00000
H2 H 0.15971 0.13946 0.21988 1.00000
H3 H 0.09591 0.71626 0.20500 1.00000
H4 H 0.47275 0.26512 0.93300 1.00000
H5 H 0.81109 0.33935 0.72682 1.00000
H6 H 0.86054 0.84029 0.78012 1.00000
H7 H 0.28374 0.90409 0.79500 1.00000
H8 H 0.66065 0.18891 0.27318 1.00000
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