Nd2UFe3
Alexandria ALEXAlex-ID: agm033952134 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2914_spg15
NdUFe2 Nd Fe
2025-04-15 00:29:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033952134).
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 agm033952134
data_agm033952134
_cell_length_a 5.84252
_cell_length_b 7.26476
_cell_length_c 13.48961
_cell_angle_alpha 98.53418
_cell_angle_beta 95.67125
_cell_angle_gamma 115.44042
_cell_volume 502.77172
_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
Nd1 Nd 0.90909 0.45294 0.96360 1.00000
Nd2 Nd 0.45284 0.52064 0.83583 1.00000
Nd3 Nd 0.79452 0.23955 0.66318 1.00000
Nd4 Nd 0.32425 0.28466 0.53509 1.00000
Nd5 Nd 0.75115 0.75926 0.47917 1.00000
Nd6 Nd 0.66553 0.17522 0.33621 1.00000
Nd7 Nd 0.59488 0.57326 0.16697 1.00000
Nd8 Nd 0.51090 0.97983 0.02465 1.00000
U1 U 0.02520 0.02291 0.86070 1.00000
U2 U 0.28160 0.73361 0.64230 1.00000
U3 U 0.20342 0.66771 0.32097 1.00000
U4 U 0.05659 0.07995 0.18041 1.00000
Fe1 Fe 0.03462 0.70411 0.77988 1.00000
Fe2 Fe 0.50658 0.98875 0.80366 1.00000
Fe3 Fe 0.16046 0.04261 0.71059 1.00000
Fe4 Fe 0.68545 0.78077 0.69333 1.00000
Fe5 Fe 0.07731 0.52989 0.49816 1.00000
Fe6 Fe 0.31923 0.89045 0.46348 1.00000
Fe7 Fe 0.26580 0.39680 0.33796 1.00000
Fe8 Fe 0.06976 0.99034 0.32509 1.00000
Fe9 Fe 0.99175 0.34859 0.16219 1.00000
Fe10 Fe 0.18544 0.75378 0.17567 1.00000
Fe11 Fe 0.18865 0.22508 0.00409 1.00000
Fe12 Fe 0.94496 0.85928 0.03681 1.00000
