TbSeN
Alexandria ALEXAlex-ID: agm005693909 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8936_spg14
Tb4Se3N2 TbN6 Tb2Se3
2023-06-18 02:58:42.337282
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693909).
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 agm005693909
data_agm005693909
_cell_length_a 4.03709
_cell_length_b 8.22364
_cell_length_c 8.58046
_cell_angle_alpha 76.31752
_cell_angle_beta 89.99998
_cell_angle_gamma 90.00002
_cell_volume 276.78317
_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 0.75575 0.41669 0.33360 1.00000
Tb2 Tb 0.25575 0.08331 0.66640 1.00000
Tb3 Tb 0.24425 0.58331 0.66640 1.00000
Tb4 Tb 0.74425 0.91669 0.33360 1.00000
Se1 Se 0.74950 0.32923 0.68288 1.00000
Se2 Se 0.24950 0.17077 0.31712 1.00000
Se3 Se 0.25050 0.67077 0.31712 1.00000
Se4 Se 0.75050 0.82923 0.68288 1.00000
N1 N 0.42965 0.01493 0.93975 1.00000
N2 N 0.92965 0.48507 0.06025 1.00000
N3 N 0.57035 0.98507 0.06025 1.00000
N4 N 0.07035 0.51493 0.93975 1.00000
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