MnSn2H6Pt
Alexandria ALEXAlex-ID: agm007559619 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_8_spg65
MnH2 Sn2Pt H2
2024-02-09 02:09:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007559619).
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 agm007559619
data_agm007559619
_cell_length_a 4.02622
_cell_length_b 4.02590
_cell_length_c 6.62770
_cell_angle_alpha 96.07974
_cell_angle_beta 83.91668
_cell_angle_gamma 92.40254
_cell_volume 106.17253
_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
Sn1 Sn 0.77343 0.22658 0.39758 1.00000
Sn2 Sn 0.22657 0.77342 0.60242 1.00000
H1 H 0.74825 0.76905 0.16111 1.00000
H2 H 0.76910 0.74828 0.83892 1.00000
H3 H 0.77766 0.22236 0.86324 1.00000
H4 H 0.22234 0.77764 0.13676 1.00000
H5 H 0.23090 0.25172 0.16108 1.00000
H6 H 0.25175 0.23095 0.83889 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
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