Tb2Er3N4
Alexandria ALEXAlex-ID: agm005690853 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Tb6N5 Tb ErN
2023-06-27 19:24:26.714827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690853).
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 agm005690853
data_agm005690853
_cell_length_a 3.46148
_cell_length_b 6.01150
_cell_length_c 7.78709
_cell_angle_alpha 75.21207
_cell_angle_beta 77.15834
_cell_angle_gamma 73.26744
_cell_volume 148.08877
_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 0.60486 0.17908 0.61120 1.00000
Tb2 Tb 0.39514 0.82092 0.38880 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.20558 0.40088 0.18795 1.00000
Er3 Er 0.79442 0.59912 0.81205 1.00000
N1 N 0.80083 0.09926 0.29909 1.00000
N2 N 0.19917 0.90074 0.70091 1.00000
N3 N 0.39680 0.30236 0.90403 1.00000
N4 N 0.60320 0.69764 0.09597 1.00000
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