Pm5Nd5Th2
Alexandria ALEXAlex-ID: agm005664547 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_137_spg2
Pm2Nd Nd Th
2023-06-19 04:12:33.356293
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005664547).
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 agm005664547
data_agm005664547
_cell_length_a 6.32295
_cell_length_b 8.95724
_cell_length_c 8.94798
_cell_angle_alpha 109.51967
_cell_angle_beta 90.13894
_cell_angle_gamma 61.83833
_cell_volume 413.69124
_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
Pm1 Pm 0.00000 0.50000 0.50000 1.00000
Pm2 Pm 0.66931 0.74328 0.91791 1.00000
Pm3 Pm 0.33638 0.99380 0.33217 1.00000
Pm4 Pm 0.66362 0.00620 0.66783 1.00000
Pm5 Pm 0.33069 0.25672 0.08209 1.00000
Nd1 Nd 0.66232 0.25601 0.41851 1.00000
Nd2 Nd 0.99379 0.25812 0.75618 1.00000
Nd3 Nd 0.00621 0.74188 0.24382 1.00000
Nd4 Nd 0.33768 0.74399 0.58149 1.00000
Nd5 Nd 0.00000 0.00000 0.00000 1.00000
Th1 Th 0.33832 0.50008 0.83678 1.00000
Th2 Th 0.66168 0.49992 0.16322 1.00000
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