ErFeB14
Alexandria ALEXAlex-ID: agm005755785 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
ErB12 FeB2
2023-07-18 13:59:31.668584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755785).
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 agm005755785
data_agm005755785
_cell_length_a 5.83840
_cell_length_b 7.30098
_cell_length_c 7.30098
_cell_angle_alpha 68.72015
_cell_angle_beta 66.43205
_cell_angle_gamma 66.43205
_cell_volume 253.70704
_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
Er1 Er 0.25000 0.38212 0.11788 1.00000
Er2 Er 0.75000 0.61788 0.88212 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66699 0.36762 0.29841 1.00000
B2 B 0.33301 0.63238 0.70159 1.00000
B3 B 0.16699 0.79841 0.86762 1.00000
B4 B 0.83301 0.20159 0.13238 1.00000
B5 B 0.13668 0.23430 0.49234 1.00000
B6 B 0.86332 0.76570 0.50766 1.00000
B7 B 0.63668 0.99234 0.73430 1.00000
B8 B 0.36332 0.00766 0.26570 1.00000
B9 B 0.08832 0.08094 0.74243 1.00000
B10 B 0.91168 0.91906 0.25757 1.00000
B11 B 0.58832 0.24243 0.58094 1.00000
B12 B 0.41168 0.75757 0.41906 1.00000
B13 B 0.72142 0.60103 0.27764 1.00000
B14 B 0.60009 0.39897 0.72236 1.00000
B15 B 0.22142 0.77764 0.10103 1.00000
B16 B 0.10009 0.22236 0.89897 1.00000
B17 B 0.27858 0.39897 0.72236 1.00000
B18 B 0.39991 0.60103 0.27764 1.00000
B19 B 0.77858 0.22236 0.89897 1.00000
B20 B 0.89991 0.77764 0.10103 1.00000
B21 B 0.32820 0.96676 0.87308 1.00000
B22 B 0.16805 0.03324 0.12692 1.00000
B23 B 0.82820 0.37308 0.46676 1.00000
B24 B 0.66805 0.62692 0.53324 1.00000
B25 B 0.67180 0.03324 0.12692 1.00000
B26 B 0.83195 0.96676 0.87308 1.00000
B27 B 0.17180 0.62692 0.53324 1.00000
B28 B 0.33195 0.37308 0.46676 1.00000
