ErFeB2
Alexandria ALEXAlex-ID: agm005695320 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_588_spg62
Er3Fe7B2 Er2Fe5B4 Er3FeB7
2023-07-11 19:29:33.053883
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695320).
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 agm005695320
data_agm005695320
_cell_length_a 3.45812
_cell_length_b 5.78335
_cell_length_c 9.19711
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 183.93780
_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 0.75000 0.38404 0.36337 1.00000
Er2 Er 0.25000 0.61596 0.63663 1.00000
Er3 Er 0.75000 0.88404 0.13663 1.00000
Er4 Er 0.25000 0.11596 0.86337 1.00000
Fe1 Fe 0.75000 0.38728 0.06149 1.00000
Fe2 Fe 0.25000 0.61272 0.93851 1.00000
Fe3 Fe 0.75000 0.88728 0.43851 1.00000
Fe4 Fe 0.25000 0.11272 0.56149 1.00000
B1 B 0.25000 0.03171 0.33655 1.00000
B2 B 0.75000 0.96829 0.66345 1.00000
B3 B 0.25000 0.53171 0.16345 1.00000
B4 B 0.75000 0.46829 0.83655 1.00000
B5 B 0.25000 0.23010 0.16586 1.00000
B6 B 0.75000 0.76990 0.83414 1.00000
B7 B 0.25000 0.73010 0.33414 1.00000
B8 B 0.75000 0.26990 0.66586 1.00000
Get direct link