MgSb(PN3)2
Alexandria ALEXAlex-ID: agm004980596 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_429_spg15
SbN Mg2PN3 N2 P3N5
2022-07-28 00:07:39.923962
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004980596).
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 agm004980596
data_agm004980596
_cell_length_a 5.37551
_cell_length_b 6.80314
_cell_length_c 6.80314
_cell_angle_alpha 83.62720
_cell_angle_beta 74.45806
_cell_angle_gamma 74.45806
_cell_volume 230.72532
_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
Mg1 Mg 0.25000 0.90697 0.09303 1.00000
Mg2 Mg 0.75000 0.09303 0.90697 1.00000
Sb1 Sb 0.25000 0.26918 0.73082 1.00000
Sb2 Sb 0.75000 0.73082 0.26918 1.00000
P1 P 0.31807 0.79381 0.62831 1.00000
P2 P 0.18193 0.37169 0.20619 1.00000
P3 P 0.68193 0.20619 0.37169 1.00000
P4 P 0.81807 0.62831 0.79381 1.00000
N1 N 0.17214 0.97887 0.77976 1.00000
N2 N 0.32786 0.22024 0.02113 1.00000
N3 N 0.82786 0.02113 0.22024 1.00000
N4 N 0.67214 0.77976 0.97887 1.00000
N5 N 0.34562 0.83666 0.38317 1.00000
N6 N 0.15438 0.61683 0.16334 1.00000
N7 N 0.65438 0.16334 0.61683 1.00000
N8 N 0.84562 0.38317 0.83666 1.00000
N9 N 0.15062 0.61242 0.70490 1.00000
N10 N 0.34938 0.29510 0.38758 1.00000
N11 N 0.84938 0.38758 0.29510 1.00000
N12 N 0.65062 0.70490 0.61242 1.00000
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