K(MnH3)2
Alexandria ALEXAlex-ID: agm007660085 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1703_spg2
MnH2 K3MnH8
2024-03-05 15:52:51.621655
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007660085).
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 agm007660085
data_agm007660085
_cell_length_a 3.73805
_cell_length_b 4.80561
_cell_length_c 5.74451
_cell_angle_alpha 91.62231
_cell_angle_beta 89.46512
_cell_angle_gamma 112.03057
_cell_volume 95.61913
_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 0.11376 0.96648 0.00036 1.00000
Mn1 Mn 0.50031 0.69679 0.50018 1.00000
Mn2 Mn 0.73713 0.30216 0.50018 1.00000
H1 H 0.56947 0.52071 0.73455 1.00000
H2 H 0.59635 0.51625 0.26672 1.00000
H3 H 0.61015 0.98082 0.31130 1.00000
H4 H 0.22875 0.32460 0.48814 1.00000
H5 H 0.62333 0.99442 0.68911 1.00000
H6 H 0.02070 0.69795 0.50954 1.00000
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