TbFe2H7
Alexandria ALEXAlex-ID: agm006209263 · Space group: P2 (#3)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_555_spg2
FeH TbFeH5 H2
2024-02-01 08:28:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006209263).
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 agm006209263
data_agm006209263
_cell_length_a 4.62294
_cell_length_b 3.47247
_cell_length_c 7.67178
_cell_angle_alpha 116.89754
_cell_angle_beta 62.17435
_cell_angle_gamma 138.66307
_cell_volume 70.83325
_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 0.77263 0.90901 0.43083 1.00000
H2 H 0.17454 0.44186 0.56278 1.00000
H3 H 0.59547 0.72441 0.74264 1.00000
H4 H 0.88751 0.99836 0.19587 1.00000
H5 H 0.47078 0.13652 0.49734 1.00000
H6 H 0.35164 0.98778 0.25077 1.00000
H7 H 0.05973 0.77280 0.79774 1.00000
Fe1 Fe 0.61916 0.16878 0.66618 1.00000
Fe2 Fe 0.32730 0.53810 0.32732 1.00000
Tb1 Tb 0.97363 0.37976 0.99671 1.00000
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