PmYN2
Alexandria ALEXAlex-ID: agm005671702 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_790_spg15
YN PmN
2023-07-13 03:39:09.472307
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671702).
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 agm005671702
data_agm005671702
_cell_length_a 5.02320
_cell_length_b 5.02331
_cell_length_c 10.02514
_cell_angle_alpha 90.00303
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 252.96541
_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
Pm1 Pm 0.25006 0.50042 0.62502 1.00000
Pm2 Pm 0.74994 0.49958 0.37498 1.00000
Pm3 Pm 0.25006 0.99958 0.87498 1.00000
Pm4 Pm 0.74994 0.00042 0.12502 1.00000
Y1 Y 0.24991 0.99929 0.37498 1.00000
Y2 Y 0.75009 0.00071 0.62502 1.00000
Y3 Y 0.24991 0.50071 0.12502 1.00000
Y4 Y 0.75009 0.49929 0.87498 1.00000
N1 N 0.75022 0.00156 0.87047 1.00000
N2 N 0.24978 0.99844 0.12953 1.00000
N3 N 0.75022 0.49844 0.62953 1.00000
N4 N 0.24978 0.50156 0.37047 1.00000
N5 N 0.74981 0.49900 0.12048 1.00000
N6 N 0.25019 0.50100 0.87952 1.00000
N7 N 0.74981 0.00100 0.37952 1.00000
N8 N 0.25019 0.99900 0.62048 1.00000
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