SrPr2(CN3)2
Alexandria ALEXAlex-ID: agm004576136 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_23_spg12
SrN6 SrCN2 Pr2(CN2)3 PrN
2022-06-23 08:08:38.394235
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004576136).
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 agm004576136
data_agm004576136
_cell_length_a 6.62177
_cell_length_b 5.97314
_cell_length_c 6.42881
_cell_angle_alpha 111.11412
_cell_angle_beta 90.07053
_cell_angle_gamma 56.25036
_cell_volume 190.63580
_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
Pr1 Pr 0.82801 0.34385 0.81226 1.00000
Pr2 Pr 0.17199 0.65615 0.18774 1.00000
C1 C 0.18406 0.63105 0.72976 1.00000
C2 C 0.81594 0.36895 0.27024 1.00000
N1 N 0.40850 0.52418 0.78372 1.00000
N2 N 0.93331 0.47541 0.21584 1.00000
N3 N 0.08912 0.82043 0.63042 1.00000
N4 N 0.06669 0.52459 0.78416 1.00000
N5 N 0.91088 0.17957 0.36958 1.00000
N6 N 0.59150 0.47582 0.21628 1.00000
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