Np4Nb(TeO)4
Alexandria ALEXAlex-ID: agm021105935 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C4D4_4_spg12
NpTeO Np2TeO2 Nb3Te4
2025-04-01 10:00:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021105935).
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
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# CIF generated by HEAS from Alexandria entry agm021105935
data_agm021105935
_cell_length_a 8.59171
_cell_length_b 8.59171
_cell_length_c 9.91255
_cell_angle_alpha 62.92668
_cell_angle_beta 117.07332
_cell_angle_gamma 153.75099
_cell_volume 286.10503
_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
Np1 Np 0.46671 0.53329 0.16700 1.00000
Np2 Np 0.53329 0.46671 0.83300 1.00000
Np3 Np 0.78254 0.21746 0.17576 1.00000
Np4 Np 0.21746 0.78254 0.82424 1.00000
Nb1 Nb 0.00000 0.00000 0.50000 1.00000
Te1 Te 0.11671 0.88329 0.13798 1.00000
Te2 Te 0.63290 0.36710 0.51479 1.00000
Te3 Te 0.88329 0.11671 0.86202 1.00000
Te4 Te 0.36710 0.63290 0.48521 1.00000
O1 O 0.68689 0.31311 0.91438 1.00000
O2 O 0.06090 0.93910 0.74128 1.00000
O3 O 0.93910 0.06090 0.25872 1.00000
O4 O 0.31311 0.68689 0.08562 1.00000
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