Tb2PrTc
Alexandria ALEXAlex-ID: agm005773434 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_6950_spg62
Tb3Tc Pr TbTc2
2023-07-13 16:12:10.733321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773434).
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 agm005773434
data_agm005773434
_cell_length_a 6.42378
_cell_length_b 7.51583
_cell_length_c 9.29646
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 448.83358
_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 0.16039 0.67534 0.06503 1.00000
Tb2 Tb 0.33961 0.17534 0.43497 1.00000
Tb3 Tb 0.83961 0.32466 0.56503 1.00000
Tb4 Tb 0.66039 0.82466 0.93497 1.00000
Tb5 Tb 0.83961 0.32466 0.93497 1.00000
Tb6 Tb 0.66039 0.82466 0.56503 1.00000
Tb7 Tb 0.16039 0.67534 0.43497 1.00000
Tb8 Tb 0.33961 0.17534 0.06503 1.00000
Pr1 Pr 0.62714 0.54398 0.25000 1.00000
Pr2 Pr 0.87286 0.04398 0.25000 1.00000
Pr3 Pr 0.37286 0.45602 0.75000 1.00000
Pr4 Pr 0.12714 0.95602 0.75000 1.00000
Tc1 Tc 0.04581 0.38638 0.25000 1.00000
Tc2 Tc 0.45419 0.88638 0.25000 1.00000
Tc3 Tc 0.95419 0.61362 0.75000 1.00000
Tc4 Tc 0.54581 0.11362 0.75000 1.00000
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