LaMn(H4Rh)2
Alexandria ALEXAlex-ID: agm007270004 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1124_spg12
MnH2 MnH3Rh2 Mn4H3 LaH6Rh
2024-02-09 09:42:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007270004).
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 agm007270004
data_agm007270004
_cell_length_a 4.60116
_cell_length_b 5.48899
_cell_length_c 4.65618
_cell_angle_alpha 86.09662
_cell_angle_beta 85.49767
_cell_angle_gamma 81.85949
_cell_volume 115.85774
_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
La1 La 0.50000 0.50000 0.50000 1.00000
Mn1 Mn 0.50000 0.00000 0.00000 1.00000
H1 H 0.26837 0.15849 0.72144 1.00000
H2 H 0.40064 0.69569 0.94135 1.00000
H3 H 0.94372 0.56348 0.78003 1.00000
H4 H 0.73163 0.84151 0.27856 1.00000
H5 H 0.59936 0.30431 0.05865 1.00000
H6 H 0.05628 0.43652 0.21997 1.00000
H7 H 0.18726 0.92437 0.28592 1.00000
H8 H 0.81274 0.07563 0.71408 1.00000
Rh1 Rh 0.04400 0.74219 0.07386 1.00000
Rh2 Rh 0.95600 0.25781 0.92614 1.00000
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