UFe2H7
Alexandria ALEXAlex-ID: agm006209243 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_705_spg12
UFeH6 FeH
2024-02-06 16:06:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209243).
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 agm006209243
data_agm006209243
_cell_length_a 3.99588
_cell_length_b 4.03718
_cell_length_c 7.59706
_cell_angle_alpha 131.41764
_cell_angle_beta 50.04883
_cell_angle_gamma 113.18500
_cell_volume 70.35117
_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
H1 H 0.01152 0.85870 0.37358 1.00000
H2 H 0.69682 0.22545 0.77126 1.00000
H3 H 0.59488 0.72802 0.81912 1.00000
H4 H 0.89188 0.21753 0.28697 1.00000
H5 H 0.15436 0.68690 0.52113 1.00000
H6 H 0.50317 0.86789 0.10832 1.00000
H7 H 0.18829 0.57413 0.71616 1.00000
Fe1 Fe 0.66887 0.72255 0.58612 1.00000
Fe2 Fe 0.52174 0.85213 0.30945 1.00000
U1 U 0.00086 0.32408 0.97606 1.00000
Get direct link