Tb2FeH7
Alexandria ALEXAlex-ID: agm006209262 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_484_spg166
TbH3 TbFeH5 Fe
2024-02-07 00:04:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209262).
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 agm006209262
data_agm006209262
_cell_length_a 4.58911
_cell_length_b 4.58910
_cell_length_c 7.10352
_cell_angle_alpha 108.79201
_cell_angle_beta 71.17920
_cell_angle_gamma 120.00159
_cell_volume 120.24460
_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 0.09431 0.73776 0.13695 1.00000
H2 H 0.85219 0.97382 0.85669 1.00000
H3 H 0.35552 0.47718 0.85681 1.00000
H4 H 0.09459 0.23419 0.13656 1.00000
H5 H 0.47319 0.85537 0.49681 1.00000
H6 H 0.59096 0.23437 0.13682 1.00000
H7 H 0.85193 0.47735 0.85705 1.00000
Tb1 Tb 0.36671 0.96257 0.81646 1.00000
Tb2 Tb 0.57978 0.74898 0.17717 1.00000
Fe1 Fe 0.97320 0.35579 0.99684 1.00000
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