SrFeH6
Alexandria ALEXAlex-ID: agm079421908 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_584_spg71
FeH Sr2FeH6 H2
2025-06-26 07:36:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm079421908).
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 agm079421908
data_agm079421908
_cell_length_a 3.45792
_cell_length_b 4.94125
_cell_length_c 5.12183
_cell_angle_alpha 121.93879
_cell_angle_beta 90.04140
_cell_angle_gamma 90.00989
_cell_volume 74.26560
_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
Sr1 Sr 0.28115 0.90473 0.01839 1.00000
Fe1 Fe 0.78129 0.64714 0.38597 1.00000
H1 H 0.78090 0.54992 0.04538 1.00000
H2 H 0.78160 0.54021 0.62104 1.00000
H3 H 0.78104 0.96737 0.68813 1.00000
H4 H 0.78168 0.97192 0.41983 1.00000
H5 H 0.78108 0.28310 0.19022 1.00000
H6 H 0.28128 0.63561 0.38105 1.00000
Get direct link