MnH3IrRh
Alexandria ALEXAlex-ID: agm006975201 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_1245_spg11
MnH2 Mn3Ir5 H8Rh3 Mn5Ir3
2024-03-10 17:43:05.827586
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006975201).
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 agm006975201
data_agm006975201
_cell_length_a 2.81261
_cell_length_b 4.05633
_cell_length_c 9.70410
_cell_angle_alpha 97.99018
_cell_angle_beta 89.99361
_cell_angle_gamma 90.04085
_cell_volume 109.63805
_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
Mn1 Mn 0.24979 0.18239 0.77457 1.00000
Mn2 Mn 0.75021 0.81761 0.22543 1.00000
H1 H 0.25041 0.96501 0.92661 1.00000
H2 H 0.74959 0.03499 0.07339 1.00000
H3 H 0.24978 0.35069 0.56982 1.00000
H4 H 0.75022 0.64931 0.43018 1.00000
H5 H 0.25071 0.88147 0.61556 1.00000
H6 H 0.74929 0.11853 0.38444 1.00000
Ir1 Ir 0.75018 0.66808 0.91551 1.00000
Ir2 Ir 0.24982 0.33192 0.08449 1.00000
Rh1 Rh 0.24973 0.37634 0.37085 1.00000
Rh2 Rh 0.75027 0.62366 0.62915 1.00000
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