FeAgH6
Alexandria ALEXAlex-ID: agm076187877 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_577_spg8
H2 Ag FeH
2025-06-26 19:46:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076187877).
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 agm076187877
data_agm076187877
_cell_length_a 5.34863
_cell_length_b 4.72519
_cell_length_c 2.80190
_cell_angle_alpha 89.99941
_cell_angle_beta 74.94734
_cell_angle_gamma 74.74467
_cell_volume 65.79630
_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 0.62017 0.39440 0.26813 1.00000
Ag1 Ag 0.79285 0.83768 0.68261 1.00000
H1 H 0.43178 0.17186 0.36191 1.00000
H2 H 0.88209 0.52452 0.13827 1.00000
H3 H 0.80333 0.23079 0.67736 1.00000
H4 H 0.48532 0.55316 0.83501 1.00000
H5 H 0.32425 0.35310 0.41438 1.00000
H6 H 0.41020 0.68448 0.37233 1.00000
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