SrPr3(CrN2)4
Alexandria ALEXAlex-ID: agm044291423 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D8_63_spg12
Sr2CrN3 Pr3Cr10N11 Pr2CrN4 PrN
2024-10-22 17:27:33.089746
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044291423).
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 agm044291423
data_agm044291423
_cell_length_a 6.55723
_cell_length_b 6.55723
_cell_length_c 6.55723
_cell_angle_alpha 60.52304
_cell_angle_beta 60.52304
_cell_angle_gamma 60.52304
_cell_volume 201.71985
_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 0.00000 0.00000 0.00000 1.00000
Pr1 Pr 0.50000 0.00000 0.50000 1.00000
Pr2 Pr 0.50000 0.50000 0.00000 1.00000
Pr3 Pr 0.00000 0.50000 0.50000 1.00000
Cr1 Cr 0.50000 0.50000 0.50000 1.00000
Cr2 Cr 0.50000 0.00000 0.00000 1.00000
Cr3 Cr 0.00000 0.50000 0.00000 1.00000
Cr4 Cr 0.00000 0.00000 0.50000 1.00000
N1 N 0.27111 0.27111 0.76526 1.00000
N2 N 0.27111 0.76526 0.27111 1.00000
N3 N 0.23177 0.23177 0.23177 1.00000
N4 N 0.76526 0.27111 0.27111 1.00000
N5 N 0.23474 0.72889 0.72889 1.00000
N6 N 0.76823 0.76823 0.76823 1.00000
N7 N 0.72889 0.23474 0.72889 1.00000
N8 N 0.72889 0.72889 0.23474 1.00000
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