NaCe(ZnH4)2
Alexandria ALEXAlex-ID: agm075739769 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1_spg5
Na2ZnH4 CeH3 ZnH2
2025-05-27 08:29:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm075739769).
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 agm075739769
data_agm075739769
_cell_length_a 3.90394
_cell_length_b 3.82869
_cell_length_c 9.94263
_cell_angle_alpha 92.18874
_cell_angle_beta 92.04919
_cell_angle_gamma 121.92591
_cell_volume 125.76555
_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 0.99039 0.15423 0.50032 1.00000
Ce1 Ce 0.15607 0.17840 0.00055 1.00000
Zn1 Zn 0.21505 0.73607 0.24791 1.00000
Zn2 Zn 0.65890 0.57805 0.75169 1.00000
H1 H 0.84693 0.47647 0.89518 1.00000
H2 H 0.19433 0.23204 0.23379 1.00000
H3 H 0.51329 0.79207 0.88355 1.00000
H4 H 0.50059 0.87518 0.10447 1.00000
H5 H 0.13289 0.11906 0.76593 1.00000
H6 H 0.83308 0.55027 0.11540 1.00000
H7 H 0.29061 0.80206 0.41063 1.00000
H8 H 0.66788 0.50612 0.59059 1.00000
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