MnH6OsPt
Alexandria ALEXAlex-ID: agm007663558 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_125_spg5
H10Pt MnH2 Os MnPt
2024-03-15 22:22:03.397514
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007663558).
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
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# CIF generated by HEAS from Alexandria entry agm007663558
data_agm007663558
_cell_length_a 4.61940
_cell_length_b 4.61940
_cell_length_c 4.59674
_cell_angle_alpha 84.21182
_cell_angle_beta 84.21182
_cell_angle_gamma 114.17942
_cell_volume 87.92835
_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 0.96747 0.03253 0.00000 1.00000
H1 H 0.35113 0.19398 0.65326 1.00000
H2 H 0.35563 0.06125 0.15758 1.00000
H3 H 0.17778 0.51615 0.39247 1.00000
H4 H 0.80602 0.64887 0.34674 1.00000
H5 H 0.93875 0.64437 0.84242 1.00000
H6 H 0.48385 0.82222 0.60753 1.00000
Os1 Os 0.13890 0.86110 0.50000 1.00000
Pt1 Pt 0.78154 0.21846 0.50000 1.00000
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