FePW
Alexandria ALEXAlex-ID: agm005693348 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_268_spg11
FePW
2023-06-18 06:18:41.523410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693348).
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 agm005693348
data_agm005693348
_cell_length_a 3.73312
_cell_length_b 5.84726
_cell_length_c 10.09813
_cell_angle_alpha 89.65749
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 220.42323
_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
Fe1 Fe 0.25000 0.98295 0.08857 1.00000
Fe2 Fe 0.25000 0.86004 0.45700 1.00000
Fe3 Fe 0.75000 0.63504 0.79045 1.00000
Fe4 Fe 0.75000 0.13996 0.54300 1.00000
Fe5 Fe 0.25000 0.36496 0.20955 1.00000
Fe6 Fe 0.75000 0.01705 0.91143 1.00000
P1 P 0.25000 0.76599 0.91409 1.00000
P2 P 0.75000 0.26815 0.74946 1.00000
P3 P 0.75000 0.76615 0.58229 1.00000
P4 P 0.75000 0.23401 0.08591 1.00000
P5 P 0.25000 0.23385 0.41771 1.00000
P6 P 0.25000 0.73185 0.25054 1.00000
W1 W 0.75000 0.53091 0.38220 1.00000
W2 W 0.25000 0.97287 0.71280 1.00000
W3 W 0.75000 0.02713 0.28720 1.00000
W4 W 0.75000 0.65102 0.08027 1.00000
W5 W 0.25000 0.46909 0.61780 1.00000
W6 W 0.25000 0.34898 0.91973 1.00000
Get direct link