CaZn3H8
Alexandria ALEXAlex-ID: agm007433503 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_763_spg10
CaZnH4 CaH10 Zn
2025-05-27 21:44:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007433503).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm007433503
data_agm007433503
_cell_length_a 4.39801
_cell_length_b 4.89635
_cell_length_c 6.92379
_cell_angle_alpha 89.29508
_cell_angle_beta 89.99333
_cell_angle_gamma 109.35037
_cell_volume 140.66375
_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
Ca1 Ca 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.42780 0.09608 0.74318 1.00000
Zn3 Zn 0.57220 0.90392 0.25682 1.00000
H1 H 0.18835 0.84820 0.23392 1.00000
H2 H 0.66889 0.73090 0.05776 1.00000
H3 H 0.83972 0.22978 0.22689 1.00000
H4 H 0.81165 0.15180 0.76608 1.00000
H5 H 0.33111 0.26910 0.94224 1.00000
H6 H 0.16028 0.77022 0.77311 1.00000
H7 H 0.38357 0.26953 0.54896 1.00000
H8 H 0.61643 0.73047 0.45104 1.00000
Get direct link