Sr2Np(AsO)2
Alexandria ALEXAlex-ID: agm017198761 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_66_spg71
SrAs NpO2
2024-12-20 00:03:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017198761).
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 agm017198761
data_agm017198761
_cell_length_a 6.47916
_cell_length_b 6.47916
_cell_length_c 6.63429
_cell_angle_alpha 64.91699
_cell_angle_beta 115.08301
_cell_angle_gamma 141.73982
_cell_volume 154.12267
_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
Sr1 Sr 0.20072 0.79928 0.22364 1.00000
Sr2 Sr 0.79928 0.20072 0.77636 1.00000
Np1 Np 0.00000 0.00000 0.50000 1.00000
As1 As 0.46883 0.53117 0.17095 1.00000
As2 As 0.53117 0.46883 0.82905 1.00000
O1 O 0.17910 0.82090 0.59059 1.00000
O2 O 0.82090 0.17910 0.40941 1.00000
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