SmMnH6
Alexandria ALEXAlex-ID: agm077683522 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_1554_spg63
SmMnH6
2025-01-09 15:00:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077683522).
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 agm077683522
data_agm077683522
_cell_length_a 6.03160
_cell_length_b 6.03160
_cell_length_c 4.45784
_cell_angle_alpha 89.98992
_cell_angle_beta 90.01008
_cell_angle_gamma 44.28978
_cell_volume 113.24644
_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
Sm1 Sm 0.85716 0.85716 0.25000 1.00000
Sm2 Sm 0.14284 0.14284 0.75000 1.00000
Mn1 Mn 0.41012 0.41012 0.75000 1.00000
Mn2 Mn 0.58988 0.58988 0.25000 1.00000
H1 H 0.70453 0.29574 0.99989 1.00000
H2 H 0.29547 0.70426 0.00011 1.00000
H3 H 0.29574 0.70453 0.50011 1.00000
H4 H 0.70426 0.29547 0.49989 1.00000
H5 H 0.34661 0.96221 0.25013 1.00000
H6 H 0.65339 0.03779 0.74987 1.00000
H7 H 0.96221 0.34661 0.24987 1.00000
H8 H 0.03779 0.65339 0.75013 1.00000
H9 H 0.67669 0.67743 0.96795 1.00000
H10 H 0.32331 0.32257 0.03205 1.00000
H11 H 0.67743 0.67669 0.53205 1.00000
H12 H 0.32257 0.32331 0.46795 1.00000
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