MnH6I
Alexandria ALEXAlex-ID: agm076205217 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_25_spg2
MnH2 H9I Mn(HI)2
2025-06-26 22:14:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076205217).
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 agm076205217
data_agm076205217
_cell_length_a 6.52879
_cell_length_b 6.07853
_cell_length_c 6.46138
_cell_angle_alpha 61.55446
_cell_angle_beta 43.06660
_cell_angle_gamma 61.88986
_cell_volume 150.68286
_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 0.68621 0.52973 0.56125 1.00000
H1 H 0.73643 0.20375 0.61541 1.00000
H2 H 0.86819 0.31678 0.75726 1.00000
H3 H 0.50910 0.78539 0.36952 1.00000
H4 H 0.50805 0.65575 0.36902 1.00000
H5 H 0.65612 0.27926 0.52850 1.00000
H6 H 0.85766 0.45651 0.74677 1.00000
I1 I 0.17824 0.77284 0.05226 1.00000
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