TbEr2Zr3N6
Alexandria ALEXAlex-ID: agm034342763 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_329_spg12
TbZrN2 ErZrN2
2025-02-25 06:56:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034342763).
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 agm034342763
data_agm034342763
_cell_length_a 7.49744
_cell_length_b 7.49744
_cell_length_c 6.70632
_cell_angle_alpha 76.57519
_cell_angle_beta 103.42481
_cell_angle_gamma 154.32920
_cell_volume 158.60741
_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
Er1 Er 0.16697 0.83303 0.83374 1.00000
Er2 Er 0.83303 0.16697 0.16626 1.00000
Zr1 Zr 0.50000 0.50000 0.00000 1.00000
Zr2 Zr 0.16699 0.83301 0.33362 1.00000
Zr3 Zr 0.83301 0.16699 0.66638 1.00000
N1 N 0.67110 0.32890 0.57745 1.00000
N2 N 0.33584 0.66416 0.90953 1.00000
N3 N 0.32890 0.67110 0.42255 1.00000
N4 N 0.00269 0.99731 0.23804 1.00000
N5 N 0.99731 0.00269 0.76196 1.00000
N6 N 0.66416 0.33584 0.09047 1.00000
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