Tb3(PaTc2)2
Alexandria ALEXAlex-ID: agm005669359 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_370_spg12
Tb2PaTc2 PaTc TbTc2
2023-06-29 03:40:40.647637
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669359).
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
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# CIF generated by HEAS from Alexandria entry agm005669359
data_agm005669359
_cell_length_a 4.34355
_cell_length_b 5.87583
_cell_length_c 8.91423
_cell_angle_alpha 100.20390
_cell_angle_beta 90.01194
_cell_angle_gamma 111.67949
_cell_volume 207.53522
_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 0.37462 0.74917 0.61279 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Tb3 Tb 0.62538 0.25083 0.38721 1.00000
Pa1 Pa 0.32614 0.65243 0.22087 1.00000
Pa2 Pa 0.67386 0.34757 0.77913 1.00000
Tc1 Tc 0.72112 0.44238 0.09671 1.00000
Tc2 Tc 0.08845 0.17656 0.63361 1.00000
Tc3 Tc 0.91155 0.82344 0.36639 1.00000
Tc4 Tc 0.27888 0.55762 0.90329 1.00000
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