Na7P2I3
Alexandria ALEXAlex-ID: agm101634497 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_777_spg1
Na5P4 Na3P NaI
2025-05-17 04:27:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101634497).
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 agm101634497
data_agm101634497
_cell_length_a 6.87377
_cell_length_b 7.47574
_cell_length_c 9.30474
_cell_angle_alpha 66.28537
_cell_angle_beta 74.08579
_cell_angle_gamma 57.04639
_cell_volume 366.37538
_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 0.11791 0.66289 0.60513 1.00000
Na2 Na 0.64906 0.15355 0.71135 1.00000
Na3 Na 0.08308 0.21913 0.91690 1.00000
Na4 Na 0.55894 0.67973 0.73555 1.00000
Na5 Na 0.60791 0.97462 0.09717 1.00000
Na6 Na 0.51789 0.51463 0.12141 1.00000
Na7 Na 0.04924 0.38523 0.22889 1.00000
P1 P 0.28687 0.45615 0.93088 1.00000
P2 P 0.87937 0.67390 0.90259 1.00000
I1 I 0.93895 0.99592 0.25090 1.00000
I2 I 0.22754 0.18595 0.58268 1.00000
I3 I 0.58323 0.59831 0.41657 1.00000
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