TaFe2SnH8
Alexandria ALEXAlex-ID: agm007478209 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1317_spg2
TaFeH6 TaFeH3 FeH SnH2
2025-05-28 04:47:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007478209).
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 agm007478209
data_agm007478209
_cell_length_a 3.34976
_cell_length_b 4.43465
_cell_length_c 6.33396
_cell_angle_alpha 100.11604
_cell_angle_beta 86.92017
_cell_angle_gamma 109.76986
_cell_volume 87.16700
_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
Fe1 Fe 0.23907 0.48723 0.79965 1.00000
Fe2 Fe 0.76093 0.51277 0.20035 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
H1 H 0.89234 0.76028 0.42561 1.00000
H2 H 0.67391 0.36977 0.75526 1.00000
H3 H 0.10766 0.23972 0.57439 1.00000
H4 H 0.32609 0.63023 0.24474 1.00000
H5 H 0.61425 0.76399 0.70684 1.00000
H6 H 0.38575 0.23601 0.29316 1.00000
H7 H 0.10367 0.66958 0.64036 1.00000
H8 H 0.89633 0.33042 0.35964 1.00000
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