Mn2ZnH8
Alexandria ALEXAlex-ID: agm006458199 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1740_spg12
MnZn2H5 H2 MnH2
2023-12-26 13:40:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006458199).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm006458199
data_agm006458199
_cell_length_a 2.68732
_cell_length_b 5.00907
_cell_length_c 6.30398
_cell_angle_alpha 113.54446
_cell_angle_beta 102.30671
_cell_angle_gamma 90.00000
_cell_volume 75.66153
_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 0.68869 0.85384 0.37738 1.00000
H2 H 0.31147 0.47736 0.62295 1.00000
H3 H 0.12709 0.12637 0.25417 1.00000
H4 H 0.03406 0.53388 0.06812 1.00000
H5 H 0.87292 0.87363 0.74583 1.00000
H6 H 0.68852 0.52264 0.37705 1.00000
H7 H 0.31131 0.14616 0.62262 1.00000
H8 H 0.96594 0.46612 0.93188 1.00000
Zn1 Zn 0.50000 0.00000 0.00000 1.00000
Mn1 Mn 0.27255 0.77263 0.54509 1.00000
Mn2 Mn 0.72745 0.22737 0.45491 1.00000
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