Tb2ErN3
Alexandria ALEXAlex-ID: agm034012937 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
ErN TbN
2024-10-27 07:38:19.709487
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034012937).
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 agm034012937
data_agm034012937
_cell_length_a 11.52405
_cell_length_b 10.98885
_cell_length_c 6.01826
_cell_angle_alpha 79.47062
_cell_angle_beta 69.63608
_cell_angle_gamma 30.89330
_cell_volume 356.06384
_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 0.00029 0.00029 0.49971 1.00000
Tb2 Tb 0.41644 0.41644 0.58356 1.00000
Tb3 Tb 0.83356 0.83356 0.66644 1.00000
Tb4 Tb 0.24971 0.24971 0.75029 1.00000
Tb5 Tb 0.75029 0.75029 0.24971 1.00000
Tb6 Tb 0.66644 0.66644 0.83356 1.00000
Tb7 Tb 0.58356 0.58356 0.41644 1.00000
Tb8 Tb 0.49971 0.49971 0.00029 1.00000
Er1 Er 0.91673 0.91673 0.08327 1.00000
Er2 Er 0.33327 0.33327 0.16673 1.00000
Er3 Er 0.16673 0.16673 0.33327 1.00000
Er4 Er 0.08327 0.08327 0.91673 1.00000
N1 N 0.16616 0.66587 0.33096 1.00000
N2 N 0.66587 0.16616 0.83700 1.00000
N3 N 0.08384 0.58413 0.91904 1.00000
N4 N 0.58413 0.08384 0.41300 1.00000
N5 N 0.00327 0.49673 0.49673 1.00000
N6 N 0.49673 0.00327 0.00327 1.00000
N7 N 0.41300 0.91904 0.58413 1.00000
N8 N 0.91904 0.41300 0.08384 1.00000
N9 N 0.83700 0.33096 0.66587 1.00000
N10 N 0.33096 0.83700 0.16616 1.00000
N11 N 0.24673 0.75327 0.75327 1.00000
N12 N 0.75327 0.24673 0.24673 1.00000
