PrNd7Cd4
Alexandria ALEXAlex-ID: agm003666067 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_86_spg12
PrNd2Cd3 NdCd Nd
2022-04-08 17:15:07.340937
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666067).
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 agm003666067
data_agm003666067
_cell_length_a 5.91238
_cell_length_b 9.26175
_cell_length_c 8.10822
_cell_angle_alpha 70.05426
_cell_angle_beta 68.61752
_cell_angle_gamma 71.38648
_cell_volume 378.88946
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.79644 0.88151 0.52561 1.00000
Nd2 Nd 0.20356 0.11849 0.47439 1.00000
Nd3 Nd 0.06965 0.58936 0.27133 1.00000
Nd4 Nd 0.93035 0.41064 0.72867 1.00000
Nd5 Nd 0.26456 0.69175 0.77913 1.00000
Nd6 Nd 0.50000 0.00000 0.00000 1.00000
Nd7 Nd 0.73544 0.30825 0.22087 1.00000
Cd1 Cd 0.53936 0.28858 0.63271 1.00000
Cd2 Cd 0.46064 0.71142 0.36729 1.00000
Cd3 Cd 0.68217 0.65708 0.97858 1.00000
Cd4 Cd 0.31783 0.34292 0.02142 1.00000
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