Rb2BaNp2Se7
Alexandria ALEXAlex-ID: agm033820522 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_8_spg139
Ba5(NpSe4)3 Rb2NpSe3 Rb2Se5 NpSe3
2024-11-17 01:14:09.786511
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033820522).
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 agm033820522
data_agm033820522
_cell_length_a 14.57101
_cell_length_b 14.57101
_cell_length_c 14.57101
_cell_angle_alpha 158.42588
_cell_angle_beta 158.42588
_cell_angle_gamma 30.69629
_cell_volume 418.00420
_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 0.18436 0.18436 0.00000 1.00000
Rb2 Rb 0.81564 0.81564 0.00000 1.00000
Ba1 Ba 0.00000 0.00000 0.00000 1.00000
Np1 Np 0.40304 0.40304 0.00000 1.00000
Np2 Np 0.59696 0.59696 0.00000 1.00000
Se1 Se 0.50000 0.50000 0.00000 1.00000
Se2 Se 0.68990 0.68990 0.00000 1.00000
Se3 Se 0.31010 0.31010 0.00000 1.00000
Se4 Se 0.08901 0.58901 0.50000 1.00000
Se5 Se 0.58901 0.08901 0.50000 1.00000
Se6 Se 0.41099 0.91099 0.50000 1.00000
Se7 Se 0.91099 0.41099 0.50000 1.00000
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