RbNpZnS3
Alexandria ALEXAlex-ID: agm005035002 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_429_spg11
Np2S3 Rb2Zn3S4 RbNpS2
2022-07-10 03:52:45.751258
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005035002).
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 agm005035002
data_agm005035002
_cell_length_a 4.05294
_cell_length_b 9.07724
_cell_length_c 9.67665
_cell_angle_alpha 108.48347
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 337.63500
_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 0.25000 0.20664 0.23311 1.00000
Rb2 Rb 0.75000 0.79336 0.76689 1.00000
Np1 Np 0.25000 0.66772 0.14479 1.00000
Np2 Np 0.75000 0.33228 0.85521 1.00000
Zn1 Zn 0.25000 0.08577 0.60917 1.00000
Zn2 Zn 0.75000 0.91423 0.39083 1.00000
S1 S 0.75000 0.87924 0.14391 1.00000
S2 S 0.25000 0.12076 0.85609 1.00000
S3 S 0.25000 0.81283 0.46481 1.00000
S4 S 0.75000 0.18717 0.53519 1.00000
S5 S 0.75000 0.46582 0.14966 1.00000
S6 S 0.25000 0.53418 0.85034 1.00000
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