YFeB14
Alexandria ALEXAlex-ID: agm005753875 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
YB12 FeB2
2023-07-18 13:57:50.654267
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753875).
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 agm005753875
data_agm005753875
_cell_length_a 5.84073
_cell_length_b 7.32266
_cell_length_c 7.32266
_cell_angle_alpha 68.70904
_cell_angle_beta 66.49607
_cell_angle_gamma 66.49607
_cell_volume 255.50389
_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
Y1 Y 0.25000 0.38171 0.11829 1.00000
Y2 Y 0.75000 0.61829 0.88171 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 0.36775 0.29879 1.00000
B2 B 0.33327 0.63225 0.70121 1.00000
B3 B 0.16673 0.79879 0.86775 1.00000
B4 B 0.83327 0.20121 0.13225 1.00000
B5 B 0.13561 0.23410 0.49469 1.00000
B6 B 0.86439 0.76590 0.50531 1.00000
B7 B 0.63561 0.99469 0.73410 1.00000
B8 B 0.36439 0.00531 0.26590 1.00000
B9 B 0.08814 0.08048 0.74324 1.00000
B10 B 0.91186 0.91952 0.25676 1.00000
B11 B 0.58814 0.24324 0.58048 1.00000
B12 B 0.41186 0.75676 0.41952 1.00000
B13 B 0.72086 0.60136 0.27857 1.00000
B14 B 0.60079 0.39864 0.72143 1.00000
B15 B 0.22086 0.77857 0.10136 1.00000
B16 B 0.10079 0.22143 0.89864 1.00000
B17 B 0.27914 0.39864 0.72143 1.00000
B18 B 0.39921 0.60136 0.27857 1.00000
B19 B 0.77914 0.22143 0.89864 1.00000
B20 B 0.89921 0.77857 0.10136 1.00000
B21 B 0.32791 0.96733 0.87314 1.00000
B22 B 0.16838 0.03267 0.12686 1.00000
B23 B 0.82791 0.37314 0.46733 1.00000
B24 B 0.66838 0.62686 0.53267 1.00000
B25 B 0.67209 0.03267 0.12686 1.00000
B26 B 0.83162 0.96733 0.87314 1.00000
B27 B 0.17209 0.62686 0.53267 1.00000
B28 B 0.33162 0.37314 0.46733 1.00000
