Pm2NpP3
Alexandria ALEXAlex-ID: agm033100532 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_36_spg70
NpP PmP
2025-04-14 05:49:21
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033100532).
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 agm033100532
data_agm033100532
_cell_length_a 13.48784
_cell_length_b 12.85929
_cell_length_c 7.04567
_cell_angle_alpha 79.48098
_cell_angle_beta 69.61555
_cell_angle_gamma 30.90347
_cell_volume 570.89579
_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 0.99877 0.99877 0.50123 1.00000
Pm2 Pm 0.41785 0.41785 0.58215 1.00000
Pm3 Pm 0.83215 0.83215 0.66785 1.00000
Pm4 Pm 0.25123 0.25123 0.74877 1.00000
Pm5 Pm 0.74877 0.74877 0.25123 1.00000
Pm6 Pm 0.66785 0.66785 0.83215 1.00000
Pm7 Pm 0.58215 0.58215 0.41785 1.00000
Pm8 Pm 0.50123 0.50123 0.99877 1.00000
Np1 Np 0.91648 0.91648 0.08352 1.00000
Np2 Np 0.33352 0.33352 0.16648 1.00000
Np3 Np 0.16648 0.16648 0.33352 1.00000
Np4 Np 0.08352 0.08352 0.91648 1.00000
P1 P 0.66453 0.16403 0.84809 1.00000
P2 P 0.16403 0.66453 0.32335 1.00000
P3 P 0.58547 0.08597 0.40191 1.00000
P4 P 0.08597 0.58547 0.92665 1.00000
P5 P 0.48768 0.01232 0.01232 1.00000
P6 P 0.01232 0.48768 0.48768 1.00000
P7 P 0.92665 0.40191 0.08597 1.00000
P8 P 0.40191 0.92665 0.58547 1.00000
P9 P 0.32335 0.84809 0.16403 1.00000
P10 P 0.84809 0.32335 0.66453 1.00000
P11 P 0.76232 0.23768 0.23768 1.00000
P12 P 0.23768 0.76232 0.76232 1.00000
