CaNd2DyCd4
Alexandria ALEXAlex-ID: agm044372216 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
NdCd CaNdCd2 DyCd
2024-11-09 13:30:25.781846
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044372216).
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 agm044372216
data_agm044372216
_cell_length_a 9.33992
_cell_length_b 9.33992
_cell_length_c 9.33992
_cell_angle_alpha 33.71104
_cell_angle_beta 33.71104
_cell_angle_gamma 33.71104
_cell_volume 223.60234
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.74961 0.74961 0.74961 1.00000
Nd2 Nd 0.25039 0.25039 0.25039 1.00000
Dy1 Dy 0.50000 0.50000 0.50000 1.00000
Cd1 Cd 0.37638 0.37638 0.37638 1.00000
Cd2 Cd 0.87344 0.87344 0.87344 1.00000
Cd3 Cd 0.12656 0.12656 0.12656 1.00000
Cd4 Cd 0.62362 0.62362 0.62362 1.00000
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