Sm2NpP3
Alexandria ALEXAlex-ID: agm017405484 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2113_spg1
NpP SmP
2025-04-15 08:02:49
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017405484).
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 agm017405484
data_agm017405484
_cell_length_a 7.01706
_cell_length_b 7.01706
_cell_length_c 7.02039
_cell_angle_alpha 80.40679
_cell_angle_beta 99.59321
_cell_angle_gamma 60.00719
_cell_volume 282.27252
_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
Sm1 Sm 0.50000 0.50000 0.00000 1.00000
Sm2 Sm 0.00000 0.00000 0.50000 1.00000
Sm3 Sm 0.83557 0.83557 0.00000 1.00000
Sm4 Sm 0.16443 0.16443 0.00000 1.00000
Np1 Np 0.66698 0.66698 0.50000 1.00000
Np2 Np 0.33302 0.33302 0.50000 1.00000
P1 P 0.73803 0.26197 0.74025 1.00000
P2 P 0.26197 0.73803 0.25975 1.00000
P3 P 0.08018 0.57771 0.73994 1.00000
P4 P 0.42229 0.91982 0.73994 1.00000
P5 P 0.57771 0.08018 0.26006 1.00000
P6 P 0.91982 0.42229 0.26006 1.00000
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