Ta2MnH6Os
Alexandria ALEXAlex-ID: agm007435071 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_17_spg2
Ta3Os4 Ta2H2Os Ta2MnOs3 TaMnH6
2025-05-27 19:20:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007435071).
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 agm007435071
data_agm007435071
_cell_length_a 4.24141
_cell_length_b 4.24141
_cell_length_c 5.18480
_cell_angle_alpha 65.87577
_cell_angle_beta 114.12423
_cell_angle_gamma 90.00676
_cell_volume 76.11514
_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 0.21609 0.28420 0.43396 1.00000
Ta2 Ta 0.71580 0.78391 0.43396 1.00000
Mn1 Mn 0.93455 0.06545 0.87212 1.00000
H1 H 0.23137 0.76863 0.46395 1.00000
H2 H 0.81045 0.18955 0.10640 1.00000
H3 H 0.74490 0.25510 0.49142 1.00000
H4 H 0.81061 0.70666 0.10601 1.00000
H5 H 0.29295 0.70705 0.10592 1.00000
H6 H 0.29334 0.18939 0.10601 1.00000
Os1 Os 0.43350 0.56650 0.86988 1.00000
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