TbFeB14
Alexandria ALEXAlex-ID: agm005755844 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
TbB12 FeB2
2023-07-18 13:56:14.463677
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755844).
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 agm005755844
data_agm005755844
_cell_length_a 5.83678
_cell_length_b 7.32780
_cell_length_c 7.32780
_cell_angle_alpha 68.73764
_cell_angle_beta 66.53040
_cell_angle_gamma 66.53039
_cell_volume 255.83339
_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
Tb1 Tb 0.25000 0.38136 0.11864 1.00000
Tb2 Tb 0.75000 0.61864 0.88136 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66673 0.36786 0.29868 1.00000
B2 B 0.33327 0.63214 0.70132 1.00000
B3 B 0.16673 0.79868 0.86786 1.00000
B4 B 0.83327 0.20132 0.13214 1.00000
B5 B 0.13525 0.23384 0.49567 1.00000
B6 B 0.86475 0.76616 0.50433 1.00000
B7 B 0.63525 0.99567 0.73384 1.00000
B8 B 0.36475 0.00433 0.26616 1.00000
B9 B 0.08798 0.08036 0.74367 1.00000
B10 B 0.91202 0.91964 0.25633 1.00000
B11 B 0.58798 0.24367 0.58036 1.00000
B12 B 0.41202 0.75633 0.41964 1.00000
B13 B 0.72097 0.60128 0.27879 1.00000
B14 B 0.60103 0.39872 0.72121 1.00000
B15 B 0.22097 0.77879 0.10128 1.00000
B16 B 0.10103 0.22121 0.89872 1.00000
B17 B 0.27903 0.39872 0.72121 1.00000
B18 B 0.39897 0.60128 0.27879 1.00000
B19 B 0.77903 0.22121 0.89872 1.00000
B20 B 0.89897 0.77879 0.10128 1.00000
B21 B 0.32797 0.96752 0.87316 1.00000
B22 B 0.16864 0.03248 0.12684 1.00000
B23 B 0.82797 0.37316 0.46752 1.00000
B24 B 0.66864 0.62684 0.53248 1.00000
B25 B 0.67203 0.03248 0.12684 1.00000
B26 B 0.83136 0.96752 0.87316 1.00000
B27 B 0.17203 0.62684 0.53248 1.00000
B28 B 0.33136 0.37316 0.46752 1.00000
