Tb2Y3PaN6
Alexandria ALEXAlex-ID: agm040226344 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Tb3Y2PaN6 Y5PaN6
2025-03-12 02:37:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040226344).
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 agm040226344
data_agm040226344
_cell_length_a 7.76257
_cell_length_b 7.76257
_cell_length_c 6.98421
_cell_angle_alpha 77.05497
_cell_angle_beta 102.94503
_cell_angle_gamma 153.96319
_cell_volume 179.78268
_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 0.16794 0.83206 0.33949 1.00000
Tb2 Tb 0.83206 0.16794 0.66051 1.00000
Y1 Y 0.50000 0.50000 0.50000 1.00000
Y2 Y 0.16865 0.83135 0.82947 1.00000
Y3 Y 0.83135 0.16865 0.17053 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
N1 N 0.65893 0.34107 0.07788 1.00000
N2 N 0.33319 0.66681 0.41481 1.00000
N3 N 0.34107 0.65893 0.92212 1.00000
N4 N 0.00109 0.99891 0.76402 1.00000
N5 N 0.99891 0.00109 0.23598 1.00000
N6 N 0.66681 0.33319 0.58519 1.00000
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