Tb2Pm3Sc4
Alexandria ALEXAlex-ID: agm005651278 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1196_spg2
Tb5Pm3 Pm Sc
2023-06-28 08:19:11.556744
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651278).
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 agm005651278
data_agm005651278
_cell_length_a 6.60674
_cell_length_b 10.70840
_cell_length_c 9.37627
_cell_angle_alpha 72.47574
_cell_angle_beta 60.34263
_cell_angle_gamma 68.27610
_cell_volume 529.76203
_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 0.37946 0.87575 0.83294 1.00000
Tb2 Tb 0.85224 0.36799 0.16595 1.00000
Tb3 Tb 0.62054 0.12425 0.16706 1.00000
Tb4 Tb 0.14776 0.63201 0.83405 1.00000
Pm1 Pm 0.83304 0.96903 0.81450 1.00000
Pm2 Pm 0.49318 0.29606 0.82890 1.00000
Pm3 Pm 0.16696 0.03097 0.18550 1.00000
Pm4 Pm 0.50682 0.70394 0.17110 1.00000
Pm5 Pm 0.26448 0.44981 0.52081 1.00000
Pm6 Pm 0.73552 0.55019 0.47919 1.00000
Sc1 Sc 0.59680 0.11626 0.52224 1.00000
Sc2 Sc 0.04447 0.21038 0.83237 1.00000
Sc3 Sc 0.40320 0.88374 0.47776 1.00000
Sc4 Sc 0.95553 0.78962 0.16763 1.00000
Sc5 Sc 0.92659 0.78894 0.52230 1.00000
Sc6 Sc 0.29108 0.45949 0.16130 1.00000
Sc7 Sc 0.07341 0.21106 0.47770 1.00000
Sc8 Sc 0.70892 0.54051 0.83870 1.00000
Get direct link