SmNp(PO4)2
Alexandria ALEXAlex-ID: agm066599092 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_111_spg119
Np2P2O9 SmPO4 NpO2 P
2025-02-21 20:02:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm066599092).
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 agm066599092
data_agm066599092
_cell_length_a 5.93724
_cell_length_b 5.93724
_cell_length_c 5.93724
_cell_angle_alpha 106.01212
_cell_angle_beta 106.01212
_cell_angle_gamma 116.63586
_cell_volume 159.20149
_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 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.25000 0.75000 0.50000 1.00000
P1 P 0.75000 0.25000 0.50000 1.00000
P2 P 0.50000 0.50000 0.00000 1.00000
O1 O 0.76885 0.09672 0.67213 1.00000
O2 O 0.34390 0.51386 0.16996 1.00000
O3 O 0.34390 0.17394 0.83004 1.00000
O4 O 0.42458 0.09672 0.32787 1.00000
O5 O 0.48614 0.65610 0.83004 1.00000
O6 O 0.90328 0.23115 0.32787 1.00000
O7 O 0.90328 0.57542 0.67213 1.00000
O8 O 0.82606 0.65610 0.16996 1.00000
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