RbNp2TiO8
Alexandria ALEXAlex-ID: agm004898733 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
RbNp2O6 TiO2
2023-01-07 01:46:09.647053
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004898733).
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 agm004898733
data_agm004898733
_cell_length_a 5.01601
_cell_length_b 5.00767
_cell_length_c 7.28052
_cell_angle_alpha 87.98072
_cell_angle_beta 88.04090
_cell_angle_gamma 85.90690
_cell_volume 182.20404
_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 0.00000 0.00000 0.50000 1.00000
Np1 Np 0.48230 0.48253 0.76863 1.00000
Np2 Np 0.51770 0.51747 0.23137 1.00000
Ti1 Ti 0.00000 0.00000 0.00000 1.00000
O1 O 0.19838 0.79333 0.18820 1.00000
O2 O 0.69786 0.69950 0.01066 1.00000
O3 O 0.79532 0.19965 0.18794 1.00000
O4 O 0.80162 0.20667 0.81180 1.00000
O5 O 0.30214 0.30050 0.98934 1.00000
O6 O 0.20468 0.80035 0.81206 1.00000
O7 O 0.65113 0.65500 0.56110 1.00000
O8 O 0.34887 0.34500 0.43890 1.00000
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