Y3Er2N4
Alexandria ALEXAlex-ID: agm005688468 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_352_spg164
Y6N5 ErN Y
2023-06-27 19:35:01.337395
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688468).
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 agm005688468
data_agm005688468
_cell_length_a 3.47336
_cell_length_b 3.47336
_cell_length_c 14.36666
_cell_angle_alpha 90.04574
_cell_angle_beta 89.95426
_cell_angle_gamma 120.00218
_cell_volume 150.09843
_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
Y1 Y 0.66589 0.33411 0.38434 1.00000
Y2 Y 0.00000 0.00000 0.00000 1.00000
Y3 Y 0.33411 0.66589 0.61566 1.00000
Er1 Er 0.66705 0.33295 0.80840 1.00000
Er2 Er 0.33295 0.66705 0.19160 1.00000
N1 N 0.33354 0.66646 0.89896 1.00000
N2 N 0.99936 0.00064 0.29713 1.00000
N3 N 0.00064 0.99936 0.70287 1.00000
N4 N 0.66646 0.33354 0.10104 1.00000
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