MnInH4
Alexandria ALEXAlex-ID: agm007408739 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2033_spg15
InH2 MnH2
2025-05-27 16:52:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007408739).
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 agm007408739
data_agm007408739
_cell_length_a 2.87761
_cell_length_b 5.31277
_cell_length_c 7.39327
_cell_angle_alpha 96.19567
_cell_angle_beta 89.72023
_cell_angle_gamma 105.72005
_cell_volume 108.13066
_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 0.80215 0.56070 0.35052 1.00000
Mn2 Mn 0.23553 0.43674 0.64959 1.00000
In1 In 0.77016 0.00113 0.99844 1.00000
In2 In 0.51645 0.99803 0.50098 1.00000
H1 H 0.82247 0.60696 0.58520 1.00000
H2 H 0.31198 0.58306 0.22936 1.00000
H3 H 0.21671 0.38912 0.41433 1.00000
H4 H 0.86515 0.66955 0.15800 1.00000
H5 H 0.19076 0.33776 0.84515 1.00000
H6 H 0.67181 0.28775 0.21333 1.00000
H7 H 0.37560 0.71206 0.78405 1.00000
H8 H 0.72122 0.41713 0.77105 1.00000
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