Fe2SnH7Ru2
Alexandria ALEXAlex-ID: agm006513136 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_152_spg44
FeH SnH2Ru H2 H8Ru3
2024-02-29 01:58:05.535764
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006513136).
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 agm006513136
data_agm006513136
_cell_length_a 7.90180
_cell_length_b 7.90180
_cell_length_c 7.90180
_cell_angle_alpha 153.40658
_cell_angle_beta 153.11809
_cell_angle_gamma 38.17321
_cell_volume 99.70436
_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 0.28241 0.75011 0.53231 1.00000
Fe2 Fe 0.78220 0.24989 0.53231 1.00000
Sn1 Sn 0.95095 0.00000 0.95095 1.00000
H1 H 0.15169 0.62999 0.52169 1.00000
H2 H 0.29503 0.26194 0.03309 1.00000
H3 H 0.35325 0.86975 0.48350 1.00000
H4 H 0.89170 0.37001 0.52169 1.00000
H5 H 0.77115 0.73806 0.03309 1.00000
H6 H 0.61376 0.13025 0.48350 1.00000
H7 H 0.35355 0.50000 0.85355 1.00000
Ru1 Ru 0.63551 0.60850 0.02700 1.00000
Ru2 Ru 0.41850 0.39150 0.02700 1.00000
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