Na7ReN3
Alexandria ALEXAlex-ID: agm005990367 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_23_spg8
Na4ReN3 Na
2023-08-12 07:17:29.666333
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990367).
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 agm005990367
data_agm005990367
_cell_length_a 6.91489
_cell_length_b 6.97857
_cell_length_c 6.98079
_cell_angle_alpha 77.87299
_cell_angle_beta 60.31152
_cell_angle_gamma 60.30158
_cell_volume 253.92686
_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
Na1 Na 0.31564 0.92711 0.44161 1.00000
Na2 Na 0.30175 0.57669 0.81980 1.00000
Na3 Na 0.84390 0.93224 0.37996 1.00000
Na4 Na 0.27858 0.08379 0.85485 1.00000
Na5 Na 0.78278 0.08379 0.85485 1.00000
Na6 Na 0.37257 0.41979 0.33400 1.00000
Na7 Na 0.87365 0.41979 0.33400 1.00000
Re1 Re 0.84902 0.58870 0.71326 1.00000
N1 N 0.02251 0.29284 0.66215 1.00000
N2 N 0.59516 0.72890 0.63716 1.00000
N3 N 0.03878 0.72890 0.63716 1.00000
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