Tb12Pm2Er5
Alexandria ALEXAlex-ID: agm005666756 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_422_spg2
Tb5Er4 Tb5Er Tb5Pm3
2023-06-26 13:23:48.475171
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666756).
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 agm005666756
data_agm005666756
_cell_length_a 6.76048
_cell_length_b 8.63217
_cell_length_c 12.16016
_cell_angle_alpha 112.95264
_cell_angle_beta 70.31634
_cell_angle_gamma 103.67735
_cell_volume 610.73271
_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 0.03123 0.19758 0.26377 1.00000
Tb2 Tb 0.95071 0.64543 0.96543 1.00000
Tb3 Tb 0.48623 0.57152 0.87502 1.00000
Tb4 Tb 0.24872 0.61224 0.43018 1.00000
Tb5 Tb 0.66809 0.86227 0.30231 1.00000
Tb6 Tb 0.53576 0.78796 0.65100 1.00000
Tb7 Tb 0.46424 0.21204 0.34900 1.00000
Tb8 Tb 0.75128 0.38776 0.56982 1.00000
Tb9 Tb 0.33191 0.13773 0.69769 1.00000
Tb10 Tb 0.04929 0.35457 0.03457 1.00000
Tb11 Tb 0.51377 0.42848 0.12498 1.00000
Tb12 Tb 0.96877 0.80242 0.73623 1.00000
Pm1 Pm 0.71073 0.99347 0.04785 1.00000
Pm2 Pm 0.28927 0.00653 0.95215 1.00000
Er1 Er 0.20033 0.43629 0.64957 1.00000
Er2 Er 0.22115 0.78790 0.19083 1.00000
Er3 Er 0.00000 0.00000 0.50000 1.00000
Er4 Er 0.77885 0.21210 0.80917 1.00000
Er5 Er 0.79967 0.56371 0.35043 1.00000
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