K2ZnH4
Alexandria ALEXAlex-ID: agm003440944 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1015_spg11
K2ZnH4
2022-02-17 16:45:54.264209
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003440944).
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 agm003440944
data_agm003440944
_cell_length_a 5.80084
_cell_length_b 5.76313
_cell_length_c 7.86017
_cell_angle_alpha 90.00000
_cell_angle_beta 105.51428
_cell_angle_gamma 90.00000
_cell_volume 253.19898
_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
K1 K 0.71352 0.75000 0.02698 1.00000
K2 K 0.28648 0.25000 0.97302 1.00000
K3 K 0.21374 0.25000 0.44095 1.00000
K4 K 0.78626 0.75000 0.55905 1.00000
Zn1 Zn 0.29539 0.75000 0.22153 1.00000
Zn2 Zn 0.70461 0.25000 0.77847 1.00000
H1 H 0.47203 0.51961 0.27174 1.00000
H2 H 0.17663 0.75000 0.00316 1.00000
H3 H 0.82337 0.25000 0.99684 1.00000
H4 H 0.47203 0.98039 0.27174 1.00000
H5 H 0.91172 0.25000 0.66706 1.00000
H6 H 0.52797 0.01961 0.72826 1.00000
H7 H 0.52797 0.48039 0.72826 1.00000
H8 H 0.08828 0.75000 0.33294 1.00000
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