PrSm2NpO8
Alexandria ALEXAlex-ID: agm004907009 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_357_spg10
Sm6NpO12 PrO2 PrNpO5
2023-01-05 23:03:20.414426
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004907009).
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 agm004907009
data_agm004907009
_cell_length_a 3.98320
_cell_length_b 5.52839
_cell_length_c 7.60908
_cell_angle_alpha 90.00240
_cell_angle_beta 89.99901
_cell_angle_gamma 94.57331
_cell_volume 167.02360
_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
Pr1 Pr 0.00000 0.00000 0.50000 1.00000
Sm1 Sm 0.50001 0.49997 0.74424 1.00000
Sm2 Sm 0.49999 0.50003 0.25576 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
O1 O 0.03256 0.76501 0.21502 1.00000
O2 O 0.55488 0.78246 0.00001 1.00000
O3 O 0.96739 0.23489 0.21499 1.00000
O4 O 0.96744 0.23499 0.78498 1.00000
O5 O 0.44512 0.21754 0.99999 1.00000
O6 O 0.03261 0.76511 0.78501 1.00000
O7 O 0.49114 0.74247 0.50003 1.00000
O8 O 0.50886 0.25753 0.49997 1.00000
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