PrMn2(VN2)3
Alexandria ALEXAlex-ID: agm038525852 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Pr3(Mn3N4)2 Pr3(VN3)2 MnN VN
2024-08-14 22:21:31.703070
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm038525852).
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 agm038525852
data_agm038525852
_cell_length_a 5.36196
_cell_length_b 5.36196
_cell_length_c 5.47932
_cell_angle_alpha 81.03661
_cell_angle_beta 81.03661
_cell_angle_gamma 120.56568
_cell_volume 128.77010
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.66130 0.33870 0.00000 1.00000
Mn2 Mn 0.33870 0.66130 0.00000 1.00000
V1 V 0.81026 0.18974 0.50000 1.00000
V2 V 0.18974 0.81026 0.50000 1.00000
V3 V 0.50000 0.50000 0.50000 1.00000
N1 N 0.55270 0.91330 0.27959 1.00000
N2 N 0.72611 0.72611 0.71885 1.00000
N3 N 0.44730 0.08670 0.72041 1.00000
N4 N 0.91330 0.55270 0.27959 1.00000
N5 N 0.27389 0.27389 0.28115 1.00000
N6 N 0.08670 0.44730 0.72041 1.00000
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