TmU(FeH4)2
Alexandria ALEXAlex-ID: agm007494638 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_45_spg166
TmFeH5 UH3 Fe
2024-10-15 11:34:54.416073
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007494638).
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 agm007494638
data_agm007494638
_cell_length_a 4.08165
_cell_length_b 4.07980
_cell_length_c 6.50732
_cell_angle_alpha 88.15429
_cell_angle_beta 91.93829
_cell_angle_gamma 111.66616
_cell_volume 100.62588
_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
Tm1 Tm 0.50000 0.50000 0.50000 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.21836 0.78108 0.77599 1.00000
Fe2 Fe 0.78164 0.21892 0.22401 1.00000
H1 H 0.07930 0.91949 0.58233 1.00000
H2 H 0.43697 0.56204 0.87626 1.00000
H3 H 0.92070 0.08051 0.41767 1.00000
H4 H 0.93890 0.41163 0.72198 1.00000
H5 H 0.06110 0.58837 0.27802 1.00000
H6 H 0.58824 0.05799 0.71997 1.00000
H7 H 0.41176 0.94201 0.28003 1.00000
H8 H 0.56303 0.43796 0.12374 1.00000
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