SrFeB14
Alexandria ALEXAlex-ID: agm005755400 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_1_spg74
FeB2 B SrB6
2023-07-18 13:57:59.037968
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005755400).
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 agm005755400
data_agm005755400
_cell_length_a 5.85541
_cell_length_b 7.41142
_cell_length_c 7.41142
_cell_angle_alpha 68.85258
_cell_angle_beta 66.73242
_cell_angle_gamma 66.73244
_cell_volume 263.33625
_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
Sr1 Sr 0.25000 0.38748 0.11252 1.00000
Sr2 Sr 0.75000 0.61252 0.88748 1.00000
Fe1 Fe 0.50000 0.00000 0.50000 1.00000
Fe2 Fe 0.00000 0.00000 0.50000 1.00000
B1 B 0.66499 0.36713 0.30289 1.00000
B2 B 0.33501 0.63287 0.69711 1.00000
B3 B 0.16499 0.80289 0.86713 1.00000
B4 B 0.83501 0.19711 0.13287 1.00000
B5 B 0.13219 0.23384 0.50178 1.00000
B6 B 0.86781 0.76616 0.49822 1.00000
B7 B 0.63219 0.00178 0.73384 1.00000
B8 B 0.36781 0.99822 0.26616 1.00000
B9 B 0.08650 0.07908 0.74792 1.00000
B10 B 0.91350 0.92092 0.25208 1.00000
B11 B 0.58650 0.24792 0.57908 1.00000
B12 B 0.41350 0.75208 0.42092 1.00000
B13 B 0.71708 0.60376 0.28285 1.00000
B14 B 0.60370 0.39624 0.71715 1.00000
B15 B 0.21708 0.78285 0.10376 1.00000
B16 B 0.10370 0.21715 0.89624 1.00000
B17 B 0.28292 0.39624 0.71715 1.00000
B18 B 0.39630 0.60376 0.28285 1.00000
B19 B 0.78292 0.21715 0.89624 1.00000
B20 B 0.89630 0.78285 0.10376 1.00000
B21 B 0.32673 0.96885 0.87497 1.00000
B22 B 0.17055 0.03115 0.12503 1.00000
B23 B 0.82673 0.37497 0.46885 1.00000
B24 B 0.67055 0.62503 0.53115 1.00000
B25 B 0.67327 0.03115 0.12503 1.00000
B26 B 0.82945 0.96885 0.87497 1.00000
B27 B 0.17327 0.62503 0.53115 1.00000
B28 B 0.32945 0.37497 0.46885 1.00000
