KBa2Ag2H7
Alexandria ALEXAlex-ID: agm097058833 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_13_spg12
K2AgH3 KH7 BaH2 Ag
2025-05-27 05:50:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097058833).
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 agm097058833
data_agm097058833
_cell_length_a 3.97787
_cell_length_b 3.97787
_cell_length_c 12.26093
_cell_angle_alpha 80.65304
_cell_angle_beta 99.34696
_cell_angle_gamma 89.99909
_cell_volume 188.82316
_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 0.00000 0.00000 0.50000 1.00000
Ba1 Ba 0.82357 0.17643 0.14942 1.00000
Ba2 Ba 0.17643 0.82357 0.85058 1.00000
Ag1 Ag 0.41859 0.58142 0.33891 1.00000
Ag2 Ag 0.58141 0.41858 0.66109 1.00000
H1 H 0.39697 0.10272 0.29681 1.00000
H2 H 0.60303 0.89728 0.70319 1.00000
H3 H 0.10272 0.39697 0.70319 1.00000
H4 H 0.89728 0.60303 0.29681 1.00000
H5 H 0.29043 0.70957 0.08320 1.00000
H6 H 0.70957 0.29043 0.91680 1.00000
H7 H 0.50000 0.50000 0.50000 1.00000
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