Pm3Nd5Th2
Alexandria ALEXAlex-ID: agm005607450 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_183_spg15
Pm2Nd Nd Th
2023-06-25 00:58:31.547955
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005607450).
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 agm005607450
data_agm005607450
_cell_length_a 10.14903
_cell_length_b 10.14316
_cell_length_c 11.20292
_cell_angle_alpha 129.10664
_cell_angle_beta 129.11837
_cell_angle_gamma 66.85193
_cell_volume 694.28304
_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 0.23647 0.98647 0.97294 1.00000
Pm2 Pm 0.76353 0.01353 0.02706 1.00000
Pm3 Pm 0.72591 0.47392 0.24998 1.00000
Pm4 Pm 0.27409 0.52608 0.75002 1.00000
Pm5 Pm 0.02408 0.77606 0.24998 1.00000
Pm6 Pm 0.97592 0.22394 0.75002 1.00000
Nd1 Nd 0.27674 0.52674 0.05348 1.00000
Nd2 Nd 0.72326 0.47326 0.94652 1.00000
Nd3 Nd 0.02591 0.77591 0.55182 1.00000
Nd4 Nd 0.51288 0.26288 0.52576 1.00000
Nd5 Nd 0.97409 0.22409 0.44818 1.00000
Nd6 Nd 0.48712 0.73712 0.47424 1.00000
Nd7 Nd 0.87481 0.62452 0.75134 1.00000
Nd8 Nd 0.12519 0.37548 0.24866 1.00000
Nd9 Nd 0.37653 0.12683 0.75134 1.00000
Nd10 Nd 0.62347 0.87317 0.24866 1.00000
Th1 Th 0.78151 0.02955 0.75077 1.00000
Th2 Th 0.21849 0.97045 0.24923 1.00000
Th3 Th 0.46926 0.72122 0.75077 1.00000
Th4 Th 0.53074 0.27878 0.24923 1.00000
