Fe(SnH3)2
Alexandria ALEXAlex-ID: agm097909599 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_587_spg99
SnH2 H2 FeH
2025-04-29 17:29:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097909599).
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 agm097909599
data_agm097909599
_cell_length_a 3.52259
_cell_length_b 3.48122
_cell_length_c 7.72508
_cell_angle_alpha 89.58710
_cell_angle_beta 88.83291
_cell_angle_gamma 89.13243
_cell_volume 94.69916
_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
Fe1 Fe 0.57249 0.35877 0.75129 1.00000
Sn1 Sn 0.78140 0.24367 0.07272 1.00000
Sn2 Sn 0.08434 0.85380 0.55117 1.00000
H1 H 0.38473 0.51550 0.92080 1.00000
H2 H 0.58138 0.36403 0.54804 1.00000
H3 H 0.59684 0.85280 0.77372 1.00000
H4 H 0.44194 0.22522 0.24927 1.00000
H5 H 0.07071 0.34891 0.76151 1.00000
H6 H 0.98617 0.73731 0.12147 1.00000
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