La5Nd3Dy2
Alexandria ALEXAlex-ID: agm005606539 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_183_spg15
La2Nd LaNd LaDy4
2023-06-24 20:31:45.755199
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606539).
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 agm005606539
data_agm005606539
_cell_length_a 10.25774
_cell_length_b 10.27869
_cell_length_c 11.45182
_cell_angle_alpha 129.57928
_cell_angle_beta 129.53989
_cell_angle_gamma 65.12834
_cell_volume 717.45172
_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
La1 La 0.27276 0.52276 0.04552 1.00000
La2 La 0.72724 0.47724 0.95448 1.00000
La3 La 0.02639 0.77639 0.55277 1.00000
La4 La 0.51962 0.26961 0.53923 1.00000
La5 La 0.97361 0.22361 0.44723 1.00000
La6 La 0.48038 0.73039 0.46077 1.00000
La7 La 0.87963 0.63294 0.75398 1.00000
La8 La 0.12037 0.36706 0.24602 1.00000
La9 La 0.37435 0.12104 0.75398 1.00000
La10 La 0.62565 0.87896 0.24602 1.00000
Nd1 Nd 0.23165 0.98165 0.96331 1.00000
Nd2 Nd 0.76835 0.01835 0.03669 1.00000
Nd3 Nd 0.71936 0.47311 0.25021 1.00000
Nd4 Nd 0.28064 0.52689 0.74979 1.00000
Nd5 Nd 0.03085 0.77710 0.25021 1.00000
Nd6 Nd 0.96915 0.22290 0.74979 1.00000
Dy1 Dy 0.78010 0.03278 0.75330 1.00000
Dy2 Dy 0.21990 0.96722 0.24670 1.00000
Dy3 Dy 0.47320 0.72052 0.75330 1.00000
Dy4 Dy 0.52680 0.27948 0.24670 1.00000
