Nd2Cd5Sn
Alexandria ALEXAlex-ID: agm005990248 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_146_spg63
Nd11Cd45 Nd3(Cd2Sn)2 NdCd2Sn
2023-08-21 23:59:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990248).
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 agm005990248
data_agm005990248
_cell_length_a 4.70313
_cell_length_b 9.18281
_cell_length_c 9.93744
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.83779
_cell_volume 414.86692
_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 0.80475 0.60950 0.75000 1.00000
Nd2 Nd 0.19525 0.39050 0.25000 1.00000
Nd3 Nd 0.00000 0.00000 0.00000 1.00000
Nd4 Nd 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.19224 0.38448 0.89523 1.00000
Cd2 Cd 0.80776 0.61552 0.10477 1.00000
Cd3 Cd 0.19224 0.38448 0.60477 1.00000
Cd4 Cd 0.80776 0.61552 0.39523 1.00000
Cd5 Cd 0.35330 0.70660 0.96986 1.00000
Cd6 Cd 0.64670 0.29340 0.03014 1.00000
Cd7 Cd 0.35330 0.70660 0.53014 1.00000
Cd8 Cd 0.64670 0.29340 0.46986 1.00000
Cd9 Cd 0.61016 0.22031 0.75000 1.00000
Cd10 Cd 0.38984 0.77969 0.25000 1.00000
Sn1 Sn 0.45362 0.90724 0.75000 1.00000
Sn2 Sn 0.54638 0.09276 0.25000 1.00000
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