Rb3Np(TiTe3)2
Alexandria ALEXAlex-ID: agm004623398 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_221_spg12
Rb(Ti3Te4)4 Rb(TiTe2)4 Rb4TiTe4 RbNpTe2
2022-06-30 14:26:12.464752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004623398).
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 agm004623398
data_agm004623398
_cell_length_a 7.46232
_cell_length_b 7.46232
_cell_length_c 8.88677
_cell_angle_alpha 98.08261
_cell_angle_beta 98.08261
_cell_angle_gamma 120.18896
_cell_volume 410.39098
_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
Rb1 Rb 0.15991 0.84009 0.50000 1.00000
Rb2 Rb 0.84009 0.15991 0.50000 1.00000
Rb3 Rb 0.50000 0.50000 0.50000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.33000 0.67000 0.00000 1.00000
Ti2 Ti 0.67000 0.33000 0.00000 1.00000
Te1 Te 0.93592 0.58251 0.80953 1.00000
Te2 Te 0.70667 0.70667 0.18522 1.00000
Te3 Te 0.06408 0.41749 0.19047 1.00000
Te4 Te 0.58251 0.93592 0.80953 1.00000
Te5 Te 0.29333 0.29333 0.81478 1.00000
Te6 Te 0.41749 0.06408 0.19047 1.00000
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