Nd2Dy7Th4
Alexandria ALEXAlex-ID: agm005641185 · Space group: P-31m (#162)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B4C7_84_spg162
Nd3Dy5 DyTh Nd
2023-06-15 08:18:42.515286
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641185).
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 agm005641185
data_agm005641185
_cell_length_a 6.08942
_cell_length_b 6.08942
_cell_length_c 13.38197
_cell_angle_alpha 89.99999
_cell_angle_beta 89.99996
_cell_angle_gamma 120.00001
_cell_volume 429.73614
_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 0.66667 0.33333 0.00000 1.00000
Nd2 Nd 0.33333 0.66667 0.00000 1.00000
Dy1 Dy 0.00000 0.36151 0.78259 1.00000
Dy2 Dy 1.00000 0.63849 0.21741 1.00000
Dy3 Dy 0.00000 0.00000 0.00000 1.00000
Dy4 Dy 0.36151 0.00000 0.78259 1.00000
Dy5 Dy 0.63849 1.00000 0.21741 1.00000
Dy6 Dy 0.36151 0.36151 0.21741 1.00000
Dy7 Dy 0.63849 0.63849 0.78259 1.00000
Th1 Th 1.00000 1.00000 0.60934 1.00000
Th2 Th 0.00000 0.00000 0.39066 1.00000
Th3 Th 0.66667 0.33333 0.50000 1.00000
Th4 Th 0.33333 0.66667 0.50000 1.00000
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