PrNd2Tm5
Alexandria ALEXAlex-ID: agm017229648 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_2174_spg14
Pr(NdTm3)2 NdTm2 Pr
2025-03-23 07:14:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017229648).
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 agm017229648
data_agm017229648
_cell_length_a 7.15606
_cell_length_b 11.50501
_cell_length_c 12.37229
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1018.61665
_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
Pr1 Pr 0.00000 0.50080 0.74753 1.00000
Pr2 Pr 0.00000 0.49920 0.25247 1.00000
Pr3 Pr 0.00000 0.99920 0.24753 1.00000
Pr4 Pr 0.00000 0.00080 0.75247 1.00000
Nd1 Nd 0.50000 0.00067 0.75254 1.00000
Nd2 Nd 0.50000 0.99933 0.24746 1.00000
Nd3 Nd 0.50000 0.49933 0.25254 1.00000
Nd4 Nd 0.50000 0.50067 0.74746 1.00000
Nd5 Nd 0.25036 0.00000 0.50000 1.00000
Nd6 Nd 0.74964 0.50000 0.00000 1.00000
Nd7 Nd 0.74964 0.00000 0.50000 1.00000
Nd8 Nd 0.25036 0.50000 0.00000 1.00000
Tm1 Tm 0.25045 0.25080 0.66643 1.00000
Tm2 Tm 0.25045 0.74920 0.33357 1.00000
Tm3 Tm 0.74955 0.24920 0.16643 1.00000
Tm4 Tm 0.74955 0.75080 0.83357 1.00000
Tm5 Tm 0.74955 0.74920 0.33357 1.00000
Tm6 Tm 0.74955 0.25080 0.66643 1.00000
Tm7 Tm 0.25045 0.75080 0.83357 1.00000
Tm8 Tm 0.25045 0.24920 0.16643 1.00000
Tm9 Tm 0.00000 0.24875 0.91678 1.00000
Tm10 Tm 0.00000 0.75125 0.08322 1.00000
Tm11 Tm 0.00000 0.25125 0.41678 1.00000
Tm12 Tm 0.00000 0.74875 0.58322 1.00000
Tm13 Tm 0.50000 0.24863 0.91659 1.00000
Tm14 Tm 0.50000 0.75137 0.08341 1.00000
Tm15 Tm 0.50000 0.25137 0.41659 1.00000
Tm16 Tm 0.50000 0.74863 0.58341 1.00000
Tm17 Tm 0.25033 0.00000 0.00000 1.00000
Tm18 Tm 0.74967 0.50000 0.50000 1.00000
Tm19 Tm 0.74967 0.00000 0.00000 1.00000
Tm20 Tm 0.25033 0.50000 0.50000 1.00000
