La3Tb2N4
Alexandria ALEXAlex-ID: agm005694671 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
La4N3 La TbN
2023-06-27 19:14:21.622900
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694671).
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 agm005694671
data_agm005694671
_cell_length_a 3.60254
_cell_length_b 3.60254
_cell_length_c 15.41626
_cell_angle_alpha 90.04607
_cell_angle_beta 89.95393
_cell_angle_gamma 119.99715
_cell_volume 173.27623
_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
La1 La 0.66583 0.33417 0.37578 1.00000
La2 La 0.00000 0.00000 0.00000 1.00000
La3 La 0.33417 0.66583 0.62422 1.00000
Tb1 Tb 0.66712 0.33288 0.81132 1.00000
Tb2 Tb 0.33288 0.66712 0.18868 1.00000
N1 N 0.33361 0.66639 0.89370 1.00000
N2 N 0.99928 0.00072 0.29104 1.00000
N3 N 0.00072 0.99928 0.70896 1.00000
N4 N 0.66639 0.33361 0.10630 1.00000
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