Mn2SnH6Pb
Alexandria ALEXAlex-ID: agm007903608 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_1148_spg15
MnH2 SnH2 SnH8Pb3 Mn4H3
2024-02-09 10:10:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007903608).
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 agm007903608
data_agm007903608
_cell_length_a 6.97729
_cell_length_b 6.97729
_cell_length_c 4.89973
_cell_angle_alpha 77.11402
_cell_angle_beta 77.11402
_cell_angle_gamma 113.96501
_cell_volume 198.87661
_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 0.88720 0.69628 0.33836 1.00000
Mn2 Mn 0.30372 0.11280 0.16164 1.00000
Mn3 Mn 0.11280 0.30372 0.66164 1.00000
Mn4 Mn 0.69628 0.88720 0.83836 1.00000
Sn1 Sn 0.70381 0.29619 0.75000 1.00000
Sn2 Sn 0.29619 0.70381 0.25000 1.00000
H1 H 0.51171 0.85810 0.69398 1.00000
H2 H 0.14190 0.48829 0.80602 1.00000
H3 H 0.48829 0.14190 0.30602 1.00000
H4 H 0.85810 0.51171 0.19398 1.00000
H5 H 0.72848 0.70735 0.66186 1.00000
H6 H 0.29265 0.27152 0.83814 1.00000
H7 H 0.27152 0.29265 0.33814 1.00000
H8 H 0.70735 0.72848 0.16186 1.00000
H9 H 0.52871 0.63192 0.94770 1.00000
H10 H 0.36808 0.47129 0.55230 1.00000
H11 H 0.47129 0.36808 0.05230 1.00000
H12 H 0.63192 0.52871 0.44770 1.00000
Pb1 Pb 0.11148 0.88852 0.75000 1.00000
Pb2 Pb 0.88852 0.11148 0.25000 1.00000
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