Pr7NdSn4
Alexandria ALEXAlex-ID: agm003666433 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C7_87_spg12
Pr3Nd2Sn3 Pr5Sn3 Pr
2022-04-27 22:28:32.419974
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003666433).
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 agm003666433
data_agm003666433
_cell_length_a 5.95327
_cell_length_b 9.78528
_cell_length_c 7.75476
_cell_angle_alpha 79.49862
_cell_angle_beta 67.42786
_cell_angle_gamma 72.29025
_cell_volume 396.27187
_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 0.79059 0.88718 0.53163 1.00000
Pr2 Pr 0.20941 0.11282 0.46837 1.00000
Pr3 Pr 0.05784 0.62806 0.25627 1.00000
Pr4 Pr 0.94216 0.37194 0.74373 1.00000
Pr5 Pr 0.31567 0.60979 0.75887 1.00000
Pr6 Pr 0.50000 0.00000 0.00000 1.00000
Pr7 Pr 0.68433 0.39021 0.24113 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.56402 0.23521 0.63675 1.00000
Sn2 Sn 0.43598 0.76479 0.36325 1.00000
Sn3 Sn 0.69716 0.67250 0.93317 1.00000
Sn4 Sn 0.30284 0.32750 0.06683 1.00000
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