KNd(SeO4)2
Alexandria ALEXAlex-ID: agm063122897 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
KNd(SeO4)2
2024-12-20 05:21:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063122897).
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 agm063122897
data_agm063122897
_cell_length_a 4.59910
_cell_length_b 5.52267
_cell_length_c 8.99373
_cell_angle_alpha 89.73787
_cell_angle_beta 89.28332
_cell_angle_gamma 65.84758
_cell_volume 208.42094
_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
K1 K 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Se1 Se 0.59109 0.62262 0.76981 1.00000
Se2 Se 0.40891 0.37738 0.23019 1.00000
O1 O 0.17337 0.70017 0.20469 1.00000
O2 O 0.61893 0.80620 0.91658 1.00000
O3 O 0.79425 0.32365 0.20676 1.00000
O4 O 0.82663 0.29983 0.79531 1.00000
O5 O 0.38107 0.19380 0.08342 1.00000
O6 O 0.20575 0.67635 0.79324 1.00000
O7 O 0.64573 0.72430 0.60412 1.00000
O8 O 0.35427 0.27570 0.39588 1.00000
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