Pm2Nd12Th
Alexandria ALEXAlex-ID: agm005802148 · Space group: Cmme (#67)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_71_spg67
Pm2Nd Nd Th
2023-07-17 14:56:59.547479
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802148).
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 agm005802148
data_agm005802148
_cell_length_a 6.88823
_cell_length_b 6.88823
_cell_length_c 25.25697
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00001
_cell_angle_gamma 116.98478
_cell_volume 1067.91313
_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 0.50000 0.00000 0.26657 1.00000
Pm2 Pm 1.00000 0.50000 0.27298 1.00000
Pm3 Pm 0.00000 0.50000 0.73343 1.00000
Pm4 Pm 0.50000 1.00000 0.72702 1.00000
Nd1 Nd 0.50000 0.50000 0.80053 1.00000
Nd2 Nd 1.00000 0.00000 0.80053 1.00000
Nd3 Nd 0.75187 0.74813 0.92624 1.00000
Nd4 Nd 0.25149 0.75149 0.87517 1.00000
Nd5 Nd 1.00000 0.00000 0.32603 1.00000
Nd6 Nd 0.24851 0.74851 0.12483 1.00000
Nd7 Nd 0.76975 0.26975 0.58332 1.00000
Nd8 Nd 0.50000 0.50000 0.32603 1.00000
Nd9 Nd 0.24813 0.25187 0.92624 1.00000
Nd10 Nd 0.74813 0.75187 0.07376 1.00000
Nd11 Nd 0.27493 0.22507 0.55965 1.00000
Nd12 Nd 0.73025 0.23025 0.41668 1.00000
Nd13 Nd 0.00000 1.00000 0.67397 1.00000
Nd14 Nd 0.22507 0.27493 0.44035 1.00000
Nd15 Nd 0.25187 0.24813 0.07376 1.00000
Nd16 Nd 0.77493 0.72507 0.44035 1.00000
Nd17 Nd 0.72507 0.77493 0.55965 1.00000
Nd18 Nd 0.00000 1.00000 0.19947 1.00000
Nd19 Nd 0.23025 0.73025 0.58332 1.00000
Nd20 Nd 0.50000 0.50000 0.67397 1.00000
Nd21 Nd 0.74851 0.24851 0.87517 1.00000
Nd22 Nd 0.50000 0.50000 0.19947 1.00000
Nd23 Nd 0.26975 0.76975 0.41668 1.00000
Nd24 Nd 0.75149 0.25149 0.12483 1.00000
Th1 Th 0.50000 1.00000 0.99906 1.00000
Th2 Th 0.00000 0.50000 0.00094 1.00000
