Nd2DyNi6(B2C)3
Alexandria ALEXAlex-ID: agm010897307 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E6_3_spg139
DyNi2B2C NdNi2B2C
2024-11-03 14:13:24.692363
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010897307).
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 agm010897307
data_agm010897307
_cell_length_a 15.27787
_cell_length_b 15.27787
_cell_length_c 15.27787
_cell_angle_alpha 166.23836
_cell_angle_beta 166.23836
_cell_angle_gamma 19.50926
_cell_volume 201.77632
_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 0.83374 0.83374 0.00000 1.00000
Nd2 Nd 0.16626 0.16626 0.00000 1.00000
Dy1 Dy 0.50000 0.50000 0.00000 1.00000
Ni1 Ni 0.41751 0.91751 0.50000 1.00000
Ni2 Ni 0.75000 0.25000 0.50000 1.00000
Ni3 Ni 0.08249 0.58249 0.50000 1.00000
Ni4 Ni 0.91751 0.41751 0.50000 1.00000
Ni5 Ni 0.25000 0.75000 0.50000 1.00000
Ni6 Ni 0.58249 0.08249 0.50000 1.00000
B1 B 0.38340 0.38340 0.00000 1.00000
B2 B 0.71614 0.71614 0.00000 1.00000
B3 B 0.04959 0.04959 0.00000 1.00000
B4 B 0.95041 0.95041 0.00000 1.00000
B5 B 0.28386 0.28386 0.00000 1.00000
B6 B 0.61660 0.61660 0.00000 1.00000
C1 C 0.00000 0.00000 0.00000 1.00000
C2 C 0.33366 0.33366 0.00000 1.00000
C3 C 0.66634 0.66634 0.00000 1.00000
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