Tb7Pm12Sc
Alexandria ALEXAlex-ID: agm005778916 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB7C12_35_spg166
Tb5Pm3 Pm Sc
2023-07-16 09:19:29.254194
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778916).
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 agm005778916
data_agm005778916
_cell_length_a 6.18738
_cell_length_b 11.48235
_cell_length_c 11.48235
_cell_angle_alpha 116.84670
_cell_angle_beta 100.34763
_cell_angle_gamma 100.34764
_cell_volume 683.68492
_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 0.12009 0.75811 0.00016 1.00000
Tb2 Tb 0.88007 0.00016 0.24205 1.00000
Tb3 Tb 0.63802 0.75795 0.75811 1.00000
Tb4 Tb 0.50000 0.00000 0.00000 1.00000
Tb5 Tb 0.36198 0.24205 0.24189 1.00000
Tb6 Tb 0.11993 0.99984 0.75795 1.00000
Tb7 Tb 0.87991 0.24189 0.99984 1.00000
Pm1 Pm 0.08700 0.58697 0.17425 1.00000
Pm2 Pm 0.08724 0.17425 0.58728 1.00000
Pm3 Pm 0.58078 0.64680 0.00015 1.00000
Pm4 Pm 0.41937 0.00015 0.35335 1.00000
Pm5 Pm 0.49996 0.41272 0.58697 1.00000
Pm6 Pm 0.06603 0.64665 0.64680 1.00000
Pm7 Pm 0.93397 0.35335 0.35320 1.00000
Pm8 Pm 0.50004 0.58728 0.41303 1.00000
Pm9 Pm 0.58063 0.99985 0.64665 1.00000
Pm10 Pm 0.41922 0.35320 0.99985 1.00000
Pm11 Pm 0.91276 0.82575 0.41272 1.00000
Pm12 Pm 0.91300 0.41303 0.82575 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
