TbPrNd4
Alexandria ALEXAlex-ID: agm068972782 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1256_spg71
PrNd2 Tb4PrNd3 Nd
2025-04-13 23:55:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068972782).
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 agm068972782
data_agm068972782
_cell_length_a 8.23986
_cell_length_b 8.23986
_cell_length_c 7.32849
_cell_angle_alpha 77.23921
_cell_angle_beta 102.76079
_cell_angle_gamma 154.41083
_cell_volume 209.32251
_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 0.00000 0.00000 0.50000 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.33434 0.66566 0.66463 1.00000
Nd2 Nd 0.66566 0.33434 0.33537 1.00000
Nd3 Nd 0.33336 0.66664 0.16888 1.00000
Nd4 Nd 0.66664 0.33336 0.83112 1.00000
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