Pm3Y2NbN6
Alexandria ALEXAlex-ID: agm004629993 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
PmN PmNbN2 YN
2022-06-28 08:15:23.909104
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004629993).
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 agm004629993
data_agm004629993
_cell_length_a 5.98856
_cell_length_b 5.98856
_cell_length_c 6.02473
_cell_angle_alpha 99.54100
_cell_angle_beta 99.54100
_cell_angle_gamma 119.95789
_cell_volume 176.62482
_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 0.16619 0.83381 0.50000 1.00000
Pm2 Pm 0.83381 0.16619 0.50000 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Y1 Y 0.33324 0.66676 0.00000 1.00000
Y2 Y 0.66676 0.33324 0.00000 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
N1 N 0.92478 0.61322 0.77493 1.00000
N2 N 0.76355 0.76355 0.23061 1.00000
N3 N 0.07522 0.38678 0.22507 1.00000
N4 N 0.61322 0.92478 0.77493 1.00000
N5 N 0.23645 0.23645 0.76939 1.00000
N6 N 0.38678 0.07522 0.22507 1.00000
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