CaNp(SnO4)2
Alexandria ALEXAlex-ID: agm004900519 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
CaNpO4 SnO2
2023-01-01 22:23:20.150227
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004900519).
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 agm004900519
data_agm004900519
_cell_length_a 5.05078
_cell_length_b 5.04829
_cell_length_c 6.56193
_cell_angle_alpha 90.00133
_cell_angle_beta 90.00102
_cell_angle_gamma 88.83897
_cell_volume 167.28035
_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
Ca1 Ca 0.00000 0.00000 0.50000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.50001 0.50000 0.74664 1.00000
Sn2 Sn 0.49999 0.50000 0.25336 1.00000
O1 O 0.19738 0.80180 0.22022 1.00000
O2 O 0.68793 0.68876 0.99999 1.00000
O3 O 0.80263 0.19820 0.22021 1.00000
O4 O 0.80262 0.19820 0.77978 1.00000
O5 O 0.31207 0.31124 0.00001 1.00000
O6 O 0.19737 0.80180 0.77979 1.00000
O7 O 0.68096 0.68175 0.50000 1.00000
O8 O 0.31904 0.31825 0.50000 1.00000
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