Sr2PWN5
Alexandria ALEXAlex-ID: agm005162671 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_218_spg36
SrP2WN6 Sr2PN3 W2N3 SrN6
2023-01-16 21:54:34.087070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005162671).
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 agm005162671
data_agm005162671
_cell_length_a 3.11891
_cell_length_b 7.27275
_cell_length_c 11.49954
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.38174
_cell_volume 254.77732
_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 0.86107 0.72213 0.82821 1.00000
Sr2 Sr 0.08840 0.17679 0.65929 1.00000
Sr3 Sr 0.13893 0.27787 0.32821 1.00000
Sr4 Sr 0.91160 0.82321 0.15929 1.00000
P1 P 0.56154 0.12309 0.91897 1.00000
P2 P 0.43846 0.87691 0.41897 1.00000
W1 W 0.78810 0.57621 0.54352 1.00000
W2 W 0.21190 0.42379 0.04352 1.00000
N1 N 0.33504 0.67008 0.00601 1.00000
N2 N 0.67881 0.35762 0.91543 1.00000
N3 N 0.50527 0.01055 0.80065 1.00000
N4 N 0.29511 0.59022 0.65155 1.00000
N5 N 0.95307 0.90613 0.50033 1.00000
N6 N 0.66496 0.32992 0.50601 1.00000
N7 N 0.32119 0.64238 0.41543 1.00000
N8 N 0.49473 0.98945 0.30065 1.00000
N9 N 0.70489 0.40978 0.15155 1.00000
N10 N 0.04693 0.09387 0.00033 1.00000
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