Er3Np2Fe3
Alexandria ALEXAlex-ID: agm009856660 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_10_spg63
Er2NpFe2 Np
2024-03-25 14:55:52.923881
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009856660).
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 agm009856660
data_agm009856660
_cell_length_a 6.65849
_cell_length_b 6.65849
_cell_length_c 14.14227
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 149.13286
_cell_volume 321.68421
_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 0.57909 0.42091 0.87491 1.00000
Er2 Er 0.42091 0.57909 0.37491 1.00000
Er3 Er 0.57909 0.42091 0.62509 1.00000
Er4 Er 0.42091 0.57909 0.12509 1.00000
Er5 Er 0.89398 0.10602 0.75000 1.00000
Er6 Er 0.10602 0.89398 0.25000 1.00000
Np1 Np 0.70572 0.29428 0.42094 1.00000
Np2 Np 0.29428 0.70572 0.92094 1.00000
Np3 Np 0.70572 0.29428 0.07906 1.00000
Np4 Np 0.29428 0.70572 0.57906 1.00000
Fe1 Fe 0.91468 0.08532 0.95996 1.00000
Fe2 Fe 0.08532 0.91468 0.45996 1.00000
Fe3 Fe 0.91468 0.08532 0.54004 1.00000
Fe4 Fe 0.08532 0.91468 0.04004 1.00000
Fe5 Fe 0.22332 0.77668 0.75000 1.00000
Fe6 Fe 0.77668 0.22332 0.25000 1.00000
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