Mn2H6Pt2Rh
Alexandria ALEXAlex-ID: agm006567702 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_237_spg12
MnPt H10Pt MnH2 H8Rh3
2024-02-28 14:00:48.899867
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006567702).
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 agm006567702
data_agm006567702
_cell_length_a 5.48173
_cell_length_b 5.48173
_cell_length_c 6.71611
_cell_angle_alpha 47.26889
_cell_angle_beta 47.26889
_cell_angle_gamma 44.60380
_cell_volume 96.33403
_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 0.69679 0.69679 0.37060 1.00000
Mn2 Mn 0.30321 0.30321 0.62940 1.00000
H1 H 0.75430 0.75430 0.74989 1.00000
H2 H 0.67634 0.16165 0.28391 1.00000
H3 H 0.83835 0.32366 0.71609 1.00000
H4 H 0.32366 0.83835 0.71609 1.00000
H5 H 0.16165 0.67634 0.28391 1.00000
H6 H 0.24570 0.24570 0.25011 1.00000
Pt1 Pt 0.89851 0.89851 0.79977 1.00000
Pt2 Pt 0.10149 0.10149 0.20023 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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