Pm3Pr2PaN6
Alexandria ALEXAlex-ID: agm045164309 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
Pm2Pr3PaN6 Pm5PaN6
2024-12-11 03:47:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045164309).
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
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# CIF generated by HEAS from Alexandria entry agm045164309
data_agm045164309
_cell_length_a 6.27304
_cell_length_b 6.27304
_cell_length_c 6.24474
_cell_angle_alpha 80.34739
_cell_angle_beta 99.65261
_cell_angle_gamma 60.00945
_cell_volume 200.51394
_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
Pm1 Pm 0.16587 0.16587 0.50000 1.00000
Pm2 Pm 0.83413 0.83413 0.50000 1.00000
Pm3 Pm 0.50000 0.50000 0.50000 1.00000
Pr1 Pr 0.33355 0.33355 0.00000 1.00000
Pr2 Pr 0.66645 0.66645 0.00000 1.00000
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
N1 N 0.38606 0.91999 0.23985 1.00000
N2 N 0.22709 0.77291 0.75934 1.00000
N3 N 0.61394 0.08001 0.76015 1.00000
N4 N 0.08001 0.61394 0.23985 1.00000
N5 N 0.77291 0.22709 0.24066 1.00000
N6 N 0.91999 0.38606 0.76015 1.00000
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