TaIn(H3Os)2
Alexandria ALEXAlex-ID: agm007682155 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_32_spg12
Ta3Os4 InH6Os Ta2H2Os In
2025-05-29 03:54:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007682155).
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 agm007682155
data_agm007682155
_cell_length_a 4.13305
_cell_length_b 4.75113
_cell_length_c 5.93941
_cell_angle_alpha 86.74399
_cell_angle_beta 110.12365
_cell_angle_gamma 115.32846
_cell_volume 98.42013
_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 0.00000 0.00000 0.00000 1.00000
In1 In 0.00000 0.50000 0.50000 1.00000
H1 H 0.63536 0.07986 0.69579 1.00000
H2 H 0.65388 0.23044 0.08542 1.00000
H3 H 0.85234 0.91867 0.30272 1.00000
H4 H 0.36464 0.92014 0.30421 1.00000
H5 H 0.34612 0.76956 0.91458 1.00000
H6 H 0.14766 0.08133 0.69728 1.00000
Os1 Os 0.60175 0.37109 0.82943 1.00000
Os2 Os 0.39825 0.62891 0.17057 1.00000
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