PmY(MoN3)2
Alexandria ALEXAlex-ID: agm017719941 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_262_spg15
PmY(MoN3)2
2025-03-05 07:59:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017719941).
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 agm017719941
data_agm017719941
_cell_length_a 7.45168
_cell_length_b 7.45168
_cell_length_c 6.40936
_cell_angle_alpha 72.86944
_cell_angle_beta 107.13056
_cell_angle_gamma 98.54300
_cell_volume 324.27396
_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 0.09185 0.09185 0.75000 1.00000
Pm2 Pm 0.90815 0.90815 0.25000 1.00000
Y1 Y 0.70652 0.70652 0.75000 1.00000
Y2 Y 0.29348 0.29348 0.25000 1.00000
Mo1 Mo 0.20222 0.62173 0.78338 1.00000
Mo2 Mo 0.62173 0.20222 0.71662 1.00000
Mo3 Mo 0.79778 0.37827 0.21662 1.00000
Mo4 Mo 0.37827 0.79778 0.28338 1.00000
N1 N 0.99981 0.77484 0.66119 1.00000
N2 N 0.77484 0.99981 0.83881 1.00000
N3 N 0.00019 0.22516 0.33881 1.00000
N4 N 0.22516 0.00019 0.16119 1.00000
N5 N 0.12103 0.37951 0.84826 1.00000
N6 N 0.37951 0.12103 0.65174 1.00000
N7 N 0.87897 0.62049 0.15174 1.00000
N8 N 0.62049 0.87897 0.34826 1.00000
N9 N 0.36414 0.66087 0.57860 1.00000
N10 N 0.66087 0.36414 0.92140 1.00000
N11 N 0.63586 0.33913 0.42140 1.00000
N12 N 0.33913 0.63586 0.07860 1.00000
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