SrPa2(BN3)2
Alexandria ALEXAlex-ID: agm004575498 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_28_spg2
Sr(PaN2)2 BN
2022-06-23 05:18:56.430780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004575498).
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 agm004575498
data_agm004575498
_cell_length_a 6.32289
_cell_length_b 5.58351
_cell_length_c 5.29521
_cell_angle_alpha 107.21614
_cell_angle_beta 77.91373
_cell_angle_gamma 66.54953
_cell_volume 151.97130
_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 0.50000 1.00000
Pa1 Pa 0.82971 0.37937 0.77799 1.00000
Pa2 Pa 0.17029 0.62063 0.22201 1.00000
B1 B 0.23325 0.72079 0.76089 1.00000
B2 B 0.76675 0.27921 0.23911 1.00000
N1 N 0.42035 0.69984 0.89249 1.00000
N2 N 0.87582 0.47108 0.24034 1.00000
N3 N 0.14221 0.92226 0.63531 1.00000
N4 N 0.12418 0.52892 0.75966 1.00000
N5 N 0.85779 0.07774 0.36469 1.00000
N6 N 0.57965 0.30016 0.10751 1.00000
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