FeAg(H4Rh)2
Alexandria ALEXAlex-ID: agm007178767 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_826_spg2
FeH H2 Ag H8Rh3
2024-03-05 21:52:34.983611
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007178767).
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 agm007178767
data_agm007178767
_cell_length_a 4.51753
_cell_length_b 4.98749
_cell_length_c 5.50958
_cell_angle_alpha 89.92791
_cell_angle_beta 89.93383
_cell_angle_gamma 67.97670
_cell_volume 115.07900
_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 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
H1 H 0.27650 0.19312 0.50021 1.00000
H2 H 0.27469 0.21948 0.99985 1.00000
H3 H 0.72350 0.80688 0.49979 1.00000
H4 H 0.75429 0.18534 0.75054 1.00000
H5 H 0.24571 0.81466 0.24946 1.00000
H6 H 0.75153 0.18799 0.24726 1.00000
H7 H 0.24847 0.81201 0.75274 1.00000
H8 H 0.72531 0.78052 0.00015 1.00000
Rh1 Rh 0.50032 0.99978 0.75485 1.00000
Rh2 Rh 0.49968 0.00022 0.24515 1.00000
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