AcFeB14
Alexandria ALEXAlex-ID: agm005755745 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
FeB2 B AcB6
2023-07-18 13:56:15.734857
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755745).
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 agm005755745
data_agm005755745
_cell_length_a 5.87176
_cell_length_b 7.50768
_cell_length_c 7.50768
_cell_angle_alpha 68.55603
_cell_angle_beta 66.98012
_cell_angle_gamma 66.98012
_cell_volume 271.37261
_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
Ac1 Ac 0.25000 0.38004 0.11996 1.00000
Ac2 Ac 0.75000 0.61996 0.88004 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66471 0.36618 0.30440 1.00000
B2 B 0.33529 0.63382 0.69560 1.00000
B3 B 0.16471 0.80440 0.86618 1.00000
B4 B 0.83529 0.19560 0.13382 1.00000
B5 B 0.12851 0.23261 0.51037 1.00000
B6 B 0.87149 0.76739 0.48963 1.00000
B7 B 0.62851 0.01037 0.73261 1.00000
B8 B 0.37149 0.98963 0.26739 1.00000
B9 B 0.08509 0.08042 0.74940 1.00000
B10 B 0.91491 0.91958 0.25060 1.00000
B11 B 0.58509 0.24940 0.58042 1.00000
B12 B 0.41491 0.75060 0.41958 1.00000
B13 B 0.71720 0.60222 0.28534 1.00000
B14 B 0.60477 0.39778 0.71466 1.00000
B15 B 0.21720 0.78534 0.10222 1.00000
B16 B 0.10477 0.21466 0.89778 1.00000
B17 B 0.28280 0.39778 0.71466 1.00000
B18 B 0.39523 0.60222 0.28534 1.00000
B19 B 0.78280 0.21466 0.89778 1.00000
B20 B 0.89523 0.78534 0.10222 1.00000
B21 B 0.32586 0.97289 0.87359 1.00000
B22 B 0.17234 0.02711 0.12641 1.00000
B23 B 0.82586 0.37359 0.47289 1.00000
B24 B 0.67234 0.62641 0.52711 1.00000
B25 B 0.67414 0.02711 0.12641 1.00000
B26 B 0.82766 0.97289 0.87359 1.00000
B27 B 0.17414 0.62641 0.52711 1.00000
B28 B 0.32766 0.37359 0.47289 1.00000
