MnCr(H4Rh)2
Alexandria ALEXAlex-ID: agm007463992 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_401_spg2
MnCrH2 H2 H8Rh3
2024-03-26 07:49:24.235918
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007463992).
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 agm007463992
data_agm007463992
_cell_length_a 3.05840
_cell_length_b 5.20170
_cell_length_c 6.18867
_cell_angle_alpha 90.15877
_cell_angle_beta 119.99112
_cell_angle_gamma 106.74910
_cell_volume 80.36459
_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
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Cr1 Cr 0.00000 0.00000 0.50000 1.00000
H1 H 0.25444 0.88485 0.81267 1.00000
H2 H 0.74321 0.61086 0.93631 1.00000
H3 H 0.74556 0.11515 0.18733 1.00000
H4 H 0.25679 0.38914 0.06369 1.00000
H5 H 0.25858 0.89025 0.31416 1.00000
H6 H 0.74142 0.10975 0.68584 1.00000
H7 H 0.25469 0.38614 0.56263 1.00000
H8 H 0.74531 0.61386 0.43737 1.00000
Rh1 Rh 0.99666 0.49658 0.24919 1.00000
Rh2 Rh 0.00334 0.50342 0.75081 1.00000
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