Mn3SiH
Alexandria ALEXAlex-ID: agm003079643 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_2326_spg12
Mn4H3 SiH20 Mn3Si
2016-03-10 01:41:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003079643).
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 agm003079643
data_agm003079643
_cell_length_a 5.99746
_cell_length_b 4.77011
_cell_length_c 3.80070
_cell_angle_alpha 89.99315
_cell_angle_beta 108.48263
_cell_angle_gamma 112.18473
_cell_volume 94.60045
_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
H1 H 0.69977 0.45036 0.55508 1.00000
H2 H 0.88230 0.00738 0.64628 1.00000
Si1 Si 0.11703 0.73053 0.26367 1.00000
Si2 Si 0.46511 0.72720 0.93779 1.00000
Mn1 Mn 0.34792 0.39634 0.37921 1.00000
Mn2 Mn 0.01640 0.40362 0.71339 1.00000
Mn3 Mn 0.90359 0.06250 0.15701 1.00000
Mn4 Mn 0.67854 0.39520 0.04443 1.00000
Mn5 Mn 0.56578 0.05411 0.48809 1.00000
Mn6 Mn 0.23425 0.06137 0.82224 1.00000
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