Nd4Dy6Th
Alexandria ALEXAlex-ID: agm006091007 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_271_spg63
Nd3Dy5 DyTh Nd
2023-10-06 19:23:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006091007).
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 agm006091007
data_agm006091007
_cell_length_a 5.82087
_cell_length_b 5.63937
_cell_length_c 25.93846
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 121.07048
_cell_volume 729.30016
_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 0.84606 0.69211 0.54375 1.00000
Nd2 Nd 0.46198 0.92395 0.12300 1.00000
Nd3 Nd 0.15394 0.30789 0.45625 1.00000
Nd4 Nd 0.53802 0.07605 0.87700 1.00000
Nd5 Nd 0.84606 0.69211 0.95625 1.00000
Nd6 Nd 0.15394 0.30789 0.04375 1.00000
Nd7 Nd 0.53802 0.07605 0.62300 1.00000
Nd8 Nd 0.46198 0.92395 0.37700 1.00000
Dy1 Dy 0.50000 0.00000 0.00000 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Dy3 Dy 0.13138 0.26275 0.31603 1.00000
Dy4 Dy 0.86862 0.73725 0.68397 1.00000
Dy5 Dy 0.86862 0.73725 0.81603 1.00000
Dy6 Dy 0.13138 0.26275 0.18397 1.00000
Dy7 Dy 0.80646 0.61292 0.39712 1.00000
Dy8 Dy 0.19354 0.38708 0.60288 1.00000
Dy9 Dy 0.19354 0.38708 0.89712 1.00000
Dy10 Dy 0.80646 0.61292 0.10288 1.00000
Dy11 Dy 0.46186 0.92371 0.25000 1.00000
Dy12 Dy 0.53814 0.07629 0.75000 1.00000
Th1 Th 0.79917 0.59834 0.25000 1.00000
Th2 Th 0.20083 0.40166 0.75000 1.00000
