Pr2Nd4SmIn2
Alexandria ALEXAlex-ID: agm004569596 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_225_spg2
Pr5NdIn2 NdSm5In2 PrSm4 PrNd5In2
2022-06-19 14:22:25.715828
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004569596).
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 agm004569596
data_agm004569596
_cell_length_a 6.46112
_cell_length_b 8.41960
_cell_length_c 6.83987
_cell_angle_alpha 113.06104
_cell_angle_beta 117.95501
_cell_angle_gamma 79.87543
_cell_volume 302.39312
_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 0.18037 0.82046 0.48128 1.00000
Pr2 Pr 0.81963 0.17954 0.51872 1.00000
Nd1 Nd 0.59641 0.77174 0.02069 1.00000
Nd2 Nd 0.69307 0.62040 0.46817 1.00000
Nd3 Nd 0.40359 0.22826 0.97931 1.00000
Nd4 Nd 0.30693 0.37960 0.53183 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
In1 In 0.86391 0.40549 0.04954 1.00000
In2 In 0.13609 0.59451 0.95046 1.00000
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