Sr4MgNp3N8
Alexandria ALEXAlex-ID: agm004736680 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_20_spg12
Sr2NpN3 SrNpN2 Mg3NpN4
2023-02-04 22:52:17.864347
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004736680).
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
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# CIF generated by HEAS from Alexandria entry agm004736680
data_agm004736680
_cell_length_a 7.01468
_cell_length_b 7.19020
_cell_length_c 7.01586
_cell_angle_alpha 119.20074
_cell_angle_beta 119.99440
_cell_angle_gamma 90.00000
_cell_volume 253.21706
_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
Sr1 Sr 0.50000 0.00000 0.00000 1.00000
Sr2 Sr 0.50000 0.00000 0.50000 1.00000
Sr3 Sr 0.00000 0.00000 0.00000 1.00000
Sr4 Sr 0.00000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.50000 0.00000 1.00000
Np1 Np 0.50000 0.50000 0.00000 1.00000
Np2 Np 0.50000 0.50000 0.50000 1.00000
Np3 Np 0.00000 0.50000 0.50000 1.00000
N1 N 0.24174 0.69716 0.95560 1.00000
N2 N 0.24170 0.69717 0.48340 1.00000
N3 N 0.26577 0.29752 0.53154 1.00000
N4 N 0.71386 0.69716 0.95560 1.00000
N5 N 0.28614 0.30284 0.04440 1.00000
N6 N 0.73423 0.70248 0.46846 1.00000
N7 N 0.75830 0.30283 0.51660 1.00000
N8 N 0.75826 0.30284 0.04440 1.00000
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