TbV3(SnN3)2
Alexandria ALEXAlex-ID: agm034280751 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_28_spg12
Tb3(VN3)2 VN Sn SnN
2024-10-15 13:28:37.821940
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034280751).
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 agm034280751
data_agm034280751
_cell_length_a 7.71265
_cell_length_b 7.71265
_cell_length_c 6.75294
_cell_angle_alpha 69.14563
_cell_angle_beta 69.14563
_cell_angle_gamma 23.10885
_cell_volume 146.88249
_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 0.50000 0.50000 0.50000 1.00000
V1 V 0.50000 0.50000 0.00000 1.00000
V2 V 0.82183 0.82183 0.36956 1.00000
V3 V 0.17817 0.17817 0.63044 1.00000
Sn1 Sn 0.84143 0.84143 0.90316 1.00000
Sn2 Sn 0.15857 0.15857 0.09684 1.00000
N1 N 0.31696 0.31696 0.55896 1.00000
N2 N 0.64018 0.64018 0.86857 1.00000
N3 N 0.68304 0.68304 0.44104 1.00000
N4 N 0.99866 0.99866 0.22523 1.00000
N5 N 0.00134 0.00134 0.77477 1.00000
N6 N 0.35982 0.35982 0.13143 1.00000
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