YFe2PN
Alexandria ALEXAlex-ID: agm022692008 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_24_spg63
Fe2P YN
2024-10-27 08:52:26.876641
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm022692008).
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 agm022692008
data_agm022692008
_cell_length_a 5.53972
_cell_length_b 5.53972
_cell_length_c 6.66185
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 142.40399
_cell_volume 124.72809
_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
Y1 Y 0.54473 0.45527 0.25000 1.00000
Y2 Y 0.45527 0.54473 0.75000 1.00000
Fe1 Fe 0.83381 0.16619 0.44591 1.00000
Fe2 Fe 0.16619 0.83381 0.55409 1.00000
Fe3 Fe 0.83381 0.16619 0.05409 1.00000
Fe4 Fe 0.16619 0.83381 0.94591 1.00000
P1 P 0.27039 0.72961 0.25000 1.00000
P2 P 0.72961 0.27039 0.75000 1.00000
N1 N 0.00000 0.00000 0.50000 1.00000
N2 N 0.00000 0.00000 0.00000 1.00000
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