KSrZnH4
Alexandria ALEXAlex-ID: agm007657408 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_649_spg11
SrZn13 K2ZnH4 SrZnH4 SrH2
2024-06-24 12:12:23.205378
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007657408).
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 agm007657408
data_agm007657408
_cell_length_a 5.05332
_cell_length_b 6.35935
_cell_length_c 8.82048
_cell_angle_alpha 98.91130
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 280.03176
_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 0.75000 0.74511 0.08812 1.00000
K2 K 0.25000 0.25489 0.91188 1.00000
Sr1 Sr 0.75000 0.77477 0.59610 1.00000
Sr2 Sr 0.25000 0.22523 0.40390 1.00000
Zn1 Zn 0.75000 0.28733 0.64223 1.00000
Zn2 Zn 0.25000 0.71267 0.35777 1.00000
H1 H 0.50679 0.87342 0.36264 1.00000
H2 H 0.00679 0.12658 0.63736 1.00000
H3 H 0.49321 0.12658 0.63736 1.00000
H4 H 0.99321 0.87342 0.36264 1.00000
H5 H 0.75000 0.49870 0.77432 1.00000
H6 H 0.25000 0.50130 0.22568 1.00000
H7 H 0.75000 0.37882 0.46806 1.00000
H8 H 0.25000 0.62118 0.53194 1.00000
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