Sr5P2NCl
Alexandria ALEXAlex-ID: agm005178644 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_40_spg71
Sr2NCl Sr3P2
2023-01-17 03:41:03.856101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005178644).
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 agm005178644
data_agm005178644
_cell_length_a 4.95719
_cell_length_b 7.51580
_cell_length_c 8.63688
_cell_angle_alpha 115.79161
_cell_angle_beta 106.67712
_cell_angle_gamma 90.00000
_cell_volume 274.62053
_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 0.64193 0.91589 0.28386 1.00000
Sr2 Sr 0.35807 0.08411 0.71614 1.00000
Sr3 Sr 0.35807 0.63203 0.71614 1.00000
Sr4 Sr 0.64193 0.36797 0.28386 1.00000
Sr5 Sr 0.00000 0.00000 0.00000 1.00000
P1 P 0.20620 0.20620 0.41240 1.00000
P2 P 0.79380 0.79380 0.58760 1.00000
N1 N 0.50000 0.00000 0.00000 1.00000
Cl1 Cl 0.00000 0.50000 0.00000 1.00000
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