ThFeB14
Alexandria ALEXAlex-ID: agm005755808 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
Th2FeB10 FeB2 B
2023-07-18 13:59:07.896198
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755808).
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 agm005755808
data_agm005755808
_cell_length_a 5.84375
_cell_length_b 7.40707
_cell_length_c 7.40707
_cell_angle_alpha 68.56209
_cell_angle_beta 66.76702
_cell_angle_gamma 66.76703
_cell_volume 262.22895
_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
Th1 Th 0.25000 0.37824 0.12176 1.00000
Th2 Th 0.75000 0.62176 0.87824 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66653 0.36814 0.29881 1.00000
B2 B 0.33347 0.63186 0.70119 1.00000
B3 B 0.16653 0.79881 0.86814 1.00000
B4 B 0.83347 0.20119 0.13186 1.00000
B5 B 0.13171 0.23166 0.50493 1.00000
B6 B 0.86829 0.76834 0.49507 1.00000
B7 B 0.63171 0.00493 0.73166 1.00000
B8 B 0.36829 0.99507 0.26834 1.00000
B9 B 0.08686 0.08030 0.74599 1.00000
B10 B 0.91314 0.91970 0.25401 1.00000
B11 B 0.58686 0.24599 0.58030 1.00000
B12 B 0.41314 0.75401 0.41970 1.00000
B13 B 0.72140 0.60038 0.28151 1.00000
B14 B 0.60330 0.39962 0.71849 1.00000
B15 B 0.22140 0.78151 0.10038 1.00000
B16 B 0.10330 0.21849 0.89962 1.00000
B17 B 0.27860 0.39962 0.71849 1.00000
B18 B 0.39670 0.60038 0.28151 1.00000
B19 B 0.77860 0.21849 0.89962 1.00000
B20 B 0.89670 0.78151 0.10038 1.00000
B21 B 0.32760 0.97094 0.87261 1.00000
B22 B 0.17116 0.02906 0.12739 1.00000
B23 B 0.82760 0.37261 0.47094 1.00000
B24 B 0.67116 0.62739 0.52906 1.00000
B25 B 0.67240 0.02906 0.12739 1.00000
B26 B 0.82884 0.97094 0.87261 1.00000
B27 B 0.17240 0.62739 0.52906 1.00000
B28 B 0.32884 0.37261 0.47094 1.00000
