Nd(ThCd3)2
Alexandria ALEXAlex-ID: agm017184188 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_648_spg12
Nd(ThCd3)2
2024-07-20 22:17:03.489620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017184188).
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
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# CIF generated by HEAS from Alexandria entry agm017184188
data_agm017184188
_cell_length_a 6.14685
_cell_length_b 6.14685
_cell_length_c 6.14685
_cell_angle_alpha 92.13185
_cell_angle_beta 92.13185
_cell_angle_gamma 92.13185
_cell_volume 231.75610
_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 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.66054 0.66054 0.66054 1.00000
Th2 Th 0.33946 0.33946 0.33946 1.00000
Cd1 Cd 0.16507 0.50000 0.83493 1.00000
Cd2 Cd 0.83493 0.16507 0.50000 1.00000
Cd3 Cd 0.83493 0.50000 0.16507 1.00000
Cd4 Cd 0.50000 0.16507 0.83493 1.00000
Cd5 Cd 0.16507 0.83493 0.50000 1.00000
Cd6 Cd 0.50000 0.83493 0.16507 1.00000
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