CsNb(ZnH4)2
Alexandria ALEXAlex-ID: agm007441956 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_303_spg148
CsZnH3 CsH10 NbH2 ZnH2
2024-02-08 17:42:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007441956).
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 agm007441956
data_agm007441956
_cell_length_a 4.90692
_cell_length_b 4.90982
_cell_length_c 7.32059
_cell_angle_alpha 108.97478
_cell_angle_beta 95.05515
_cell_angle_gamma 112.36409
_cell_volume 149.64669
_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 0.00000 0.50000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.29146 0.58788 0.87823 1.00000
Zn2 Zn 0.70854 0.41212 0.12177 1.00000
H1 H 0.73353 0.17657 0.90847 1.00000
H2 H 0.06183 0.69755 0.75788 1.00000
H3 H 0.61650 0.66303 0.80348 1.00000
H4 H 0.26647 0.82343 0.09153 1.00000
H5 H 0.38350 0.33697 0.19652 1.00000
H6 H 0.93817 0.30245 0.24212 1.00000
H7 H 0.85730 0.81107 0.19580 1.00000
H8 H 0.14270 0.18893 0.80420 1.00000
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