KNpTl2O6
Alexandria ALEXAlex-ID: agm004952525 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_266_spg146
K5Np3O12 K2Np2O7 Tl2O3 NpTl4O5
2022-07-30 15:32:54.471329
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004952525).
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 agm004952525
data_agm004952525
_cell_length_a 6.20590
_cell_length_b 6.13517
_cell_length_c 7.07062
_cell_angle_alpha 66.60184
_cell_angle_beta 62.75817
_cell_angle_gamma 56.38677
_cell_volume 195.53715
_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 0.78594 0.78715 0.59101 1.00000
Np1 Np 0.32652 0.32848 0.01282 1.00000
Tl1 Tl 0.53821 0.53990 0.37080 1.00000
Tl2 Tl 0.02113 0.02532 0.97934 1.00000
O1 O 0.61764 0.19783 0.18400 1.00000
O2 O 0.26413 0.99615 0.17737 1.00000
O3 O 0.03988 0.52177 0.23535 1.00000
O4 O 0.34027 0.70703 0.82406 1.00000
O5 O 0.64443 0.15877 0.79315 1.00000
O6 O 0.08345 0.39922 0.84730 1.00000
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