Nd2Th(CdSn)2
Alexandria ALEXAlex-ID: agm004548435 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_139_spg166
Nd3(Cd2Sn)2 Nd5Sn4 NdCd2 Th5Sn4
2022-06-22 02:03:04.152096
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004548435).
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 agm004548435
data_agm004548435
_cell_length_a 4.98660
_cell_length_b 4.98660
_cell_length_c 9.84865
_cell_angle_alpha 75.33532
_cell_angle_beta 75.33532
_cell_angle_gamma 60.00000
_cell_volume 202.82377
_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 0.12773 0.12773 0.61680 1.00000
Nd2 Nd 0.87227 0.87227 0.38320 1.00000
Th1 Th 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.60763 0.60763 0.17711 1.00000
Cd2 Cd 0.39237 0.39237 0.82289 1.00000
Sn1 Sn 0.74047 0.74047 0.77859 1.00000
Sn2 Sn 0.25953 0.25953 0.22141 1.00000
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