TbPr2Nd3
Alexandria ALEXAlex-ID: agm034349074 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_6687_spg12
PrNd2 Tb4PrNd3 Pr
2025-04-14 05:53:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034349074).
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 agm034349074
data_agm034349074
_cell_length_a 8.20099
_cell_length_b 8.20099
_cell_length_c 10.40138
_cell_angle_alpha 90.07038
_cell_angle_beta 89.92962
_cell_angle_gamma 143.12073
_cell_volume 419.82562
_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
Tb1 Tb 0.41693 0.58307 0.87720 1.00000
Tb2 Tb 0.58307 0.41693 0.12280 1.00000
Pr1 Pr 0.91623 0.08377 0.62723 1.00000
Pr2 Pr 0.08377 0.91623 0.37277 1.00000
Pr3 Pr 0.58341 0.41659 0.62697 1.00000
Pr4 Pr 0.41659 0.58341 0.37303 1.00000
Nd1 Nd 0.08260 0.91740 0.87722 1.00000
Nd2 Nd 0.91740 0.08260 0.12278 1.00000
Nd3 Nd 0.75036 0.24964 0.87709 1.00000
Nd4 Nd 0.24964 0.75036 0.12291 1.00000
Nd5 Nd 0.74975 0.25025 0.37274 1.00000
Nd6 Nd 0.25025 0.74975 0.62726 1.00000
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