Tb12Y2Th
Alexandria ALEXAlex-ID: agm005777030 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_73_spg12
Tb5Y Tb2Th
2023-07-20 23:34:31.381630
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777030).
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 agm005777030
data_agm005777030
_cell_length_a 6.62917
_cell_length_b 6.62917
_cell_length_c 24.95588
_cell_angle_alpha 83.38607
_cell_angle_beta 96.61393
_cell_angle_gamma 65.11279
_cell_volume 971.81109
_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 0.59846 0.40288 0.79837 1.00000
Tb2 Tb 0.09712 0.90154 0.79837 1.00000
Tb3 Tb 0.89689 0.60311 0.86349 1.00000
Tb4 Tb 0.44505 0.55460 0.92792 1.00000
Tb5 Tb 0.99858 0.00353 0.32993 1.00000
Tb6 Tb 0.05495 0.94540 0.07208 1.00000
Tb7 Tb 0.66591 0.32996 0.55549 1.00000
Tb8 Tb 0.49647 0.50142 0.32993 1.00000
Tb9 Tb 0.39670 0.10330 0.86272 1.00000
Tb10 Tb 0.60311 0.89689 0.13651 1.00000
Tb11 Tb 0.17939 0.32061 0.57361 1.00000
Tb12 Tb 0.83409 0.17004 0.44451 1.00000
Tb13 Tb 0.00353 0.99858 0.67007 1.00000
Tb14 Tb 0.32061 0.17939 0.42639 1.00000
Tb15 Tb 0.10330 0.39670 0.13728 1.00000
Tb16 Tb 0.81447 0.68553 0.42391 1.00000
Tb17 Tb 0.68553 0.81447 0.57609 1.00000
Tb18 Tb 0.90154 0.09712 0.20163 1.00000
Tb19 Tb 0.17004 0.83409 0.55549 1.00000
Tb20 Tb 0.50142 0.49647 0.67007 1.00000
Tb21 Tb 0.94540 0.05495 0.92792 1.00000
Tb22 Tb 0.40288 0.59846 0.20163 1.00000
Tb23 Tb 0.32996 0.66591 0.44451 1.00000
Tb24 Tb 0.55460 0.44505 0.07208 1.00000
Y1 Y 0.45529 0.04471 0.27184 1.00000
Y2 Y 0.95371 0.54629 0.27229 1.00000
Y3 Y 0.04471 0.45529 0.72816 1.00000
Y4 Y 0.54629 0.95371 0.72771 1.00000
Th1 Th 0.50029 0.99971 0.99977 1.00000
Th2 Th 0.99971 0.50029 0.00023 1.00000
