Tb2Er12Th5
Alexandria ALEXAlex-ID: agm005687747 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_201_spg12
Tb5Er4 TbEr2 Er2Th
2023-06-27 16:48:40.029837
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687747).
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 agm005687747
data_agm005687747
_cell_length_a 6.93910
_cell_length_b 11.44079
_cell_length_c 8.59900
_cell_angle_alpha 71.88359
_cell_angle_beta 90.00006
_cell_angle_gamma 107.65368
_cell_volume 614.90719
_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 0.74493 0.00000 1.00000 1.00000
Tb2 Tb 0.25507 1.00000 0.00000 1.00000
Er1 Er 0.85061 0.70122 0.07845 1.00000
Er2 Er 0.05078 0.59781 0.79003 1.00000
Er3 Er 0.54704 0.59781 0.79003 1.00000
Er4 Er 0.14969 0.78320 0.38085 1.00000
Er5 Er 0.63351 0.78320 0.38085 1.00000
Er6 Er 0.45300 0.90599 0.68985 1.00000
Er7 Er 0.54700 0.09401 0.31015 1.00000
Er8 Er 0.85031 0.21680 0.61915 1.00000
Er9 Er 0.36649 0.21680 0.61915 1.00000
Er10 Er 0.94922 0.40219 0.20997 1.00000
Er11 Er 0.45296 0.40219 0.20997 1.00000
Er12 Er 0.14939 0.29878 0.92155 1.00000
Th1 Th 0.24805 0.49610 0.50697 1.00000
Th2 Th 0.34864 0.69728 0.09134 1.00000
Th3 Th 0.00000 0.00000 0.50000 1.00000
Th4 Th 0.65136 0.30272 0.90866 1.00000
Th5 Th 0.75195 0.50390 0.49303 1.00000
Get direct link