TaMn2InH8
Alexandria ALEXAlex-ID: agm007478146 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
MnH2 TaMnH6 In
2025-05-27 08:02:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007478146).
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 agm007478146
data_agm007478146
_cell_length_a 3.73039
_cell_length_b 4.93052
_cell_length_c 5.41201
_cell_angle_alpha 74.36615
_cell_angle_beta 89.51600
_cell_angle_gamma 68.06016
_cell_volume 88.44146
_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
Ta1 Ta 0.50000 0.00000 0.50000 1.00000
Mn1 Mn 0.72835 0.53871 0.16136 1.00000
Mn2 Mn 0.27165 0.46129 0.83864 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
H1 H 0.09173 0.81474 0.60617 1.00000
H2 H 0.29987 0.40271 0.18471 1.00000
H3 H 0.90827 0.18526 0.39383 1.00000
H4 H 0.70013 0.59729 0.81529 1.00000
H5 H 0.41546 0.70682 0.35440 1.00000
H6 H 0.58454 0.29318 0.64560 1.00000
H7 H 0.87451 0.70096 0.35846 1.00000
H8 H 0.12549 0.29904 0.64154 1.00000
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