KMnH4Rh
Alexandria ALEXAlex-ID: agm007656135 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_969_spg12
K3H9Rh2 K(H3Rh)2 Mn4H3 MnRh
2024-02-08 05:18:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007656135).
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 agm007656135
data_agm007656135
_cell_length_a 4.55935
_cell_length_b 5.41063
_cell_length_c 6.62611
_cell_angle_alpha 91.94998
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 163.36459
_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 0.74781 0.41181 1.00000
K2 K 0.25000 0.25219 0.58819 1.00000
Mn1 Mn 0.75000 0.13477 0.96663 1.00000
Mn2 Mn 0.25000 0.86523 0.03337 1.00000
H1 H 0.02620 0.09901 0.16103 1.00000
H2 H 0.52620 0.90099 0.83897 1.00000
H3 H 0.97380 0.90099 0.83897 1.00000
H4 H 0.47380 0.09901 0.16103 1.00000
H5 H 0.75000 0.34636 0.75322 1.00000
H6 H 0.25000 0.65364 0.24678 1.00000
H7 H 0.75000 0.43375 0.09656 1.00000
H8 H 0.25000 0.56625 0.90344 1.00000
Rh1 Rh 0.75000 0.62588 0.89775 1.00000
Rh2 Rh 0.25000 0.37412 0.10225 1.00000
Get direct link