PmFeB14
Alexandria ALEXAlex-ID: agm005755797 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
FeB2 PmB6 B
2023-07-18 13:56:04.852580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755797).
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 agm005755797
data_agm005755797
_cell_length_a 5.84030
_cell_length_b 7.37616
_cell_length_c 7.37616
_cell_angle_alpha 68.71427
_cell_angle_beta 66.67848
_cell_angle_gamma 66.67848
_cell_volume 259.81392
_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
Pm1 Pm 0.25000 0.38069 0.11931 1.00000
Pm2 Pm 0.75000 0.61931 0.88069 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66622 0.36786 0.29970 1.00000
B2 B 0.33378 0.63214 0.70030 1.00000
B3 B 0.16622 0.79970 0.86786 1.00000
B4 B 0.83378 0.20030 0.13214 1.00000
B5 B 0.13302 0.23340 0.50056 1.00000
B6 B 0.86698 0.76660 0.49944 1.00000
B7 B 0.63302 0.00056 0.73340 1.00000
B8 B 0.36698 0.99944 0.26660 1.00000
B9 B 0.08734 0.07976 0.74555 1.00000
B10 B 0.91266 0.92024 0.25445 1.00000
B11 B 0.58734 0.24555 0.57976 1.00000
B12 B 0.41266 0.75445 0.42024 1.00000
B13 B 0.71999 0.60173 0.28065 1.00000
B14 B 0.60237 0.39827 0.71935 1.00000
B15 B 0.21999 0.78065 0.10173 1.00000
B16 B 0.10237 0.21935 0.89827 1.00000
B17 B 0.28001 0.39827 0.71935 1.00000
B18 B 0.39763 0.60173 0.28065 1.00000
B19 B 0.78001 0.21935 0.89827 1.00000
B20 B 0.89763 0.78065 0.10173 1.00000
B21 B 0.32739 0.96887 0.87338 1.00000
B22 B 0.16965 0.03113 0.12662 1.00000
B23 B 0.82739 0.37338 0.46887 1.00000
B24 B 0.66965 0.62662 0.53113 1.00000
B25 B 0.67261 0.03113 0.12662 1.00000
B26 B 0.83035 0.96887 0.87338 1.00000
B27 B 0.17261 0.62662 0.53113 1.00000
B28 B 0.33035 0.37338 0.46887 1.00000
