K4Pr2Np3
Alexandria ALEXAlex-ID: agm012004708 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_32_spg12
K Pr Np
2024-07-10 05:47:31.540685
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012004708).
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 agm012004708
data_agm012004708
_cell_length_a 6.09433
_cell_length_b 6.09433
_cell_length_c 11.19253
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 360.00645
_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
K1 K 0.66667 0.33333 0.38515 1.00000
K2 K 0.00000 0.00000 0.84402 1.00000
K3 K 0.00000 0.00000 0.15598 1.00000
K4 K 0.33333 0.66667 0.61485 1.00000
Pr1 Pr 0.33333 0.66667 0.25948 1.00000
Pr2 Pr 0.66667 0.33333 0.74052 1.00000
Np1 Np 0.33333 0.66667 0.97553 1.00000
Np2 Np 0.00000 0.00000 0.50000 1.00000
Np3 Np 0.66667 0.33333 0.02447 1.00000
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