Rb4Ni(AsS4)2
Alexandria ALEXAlex-ID: agm020132145 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D8_31_spg2
RbS3 Rb3As7S12 Rb3AsS4 Ni3S4
2024-12-06 10:12:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020132145).
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 agm020132145
data_agm020132145
_cell_length_a 6.98673
_cell_length_b 7.41388
_cell_length_c 9.51758
_cell_angle_alpha 84.39651
_cell_angle_beta 77.78254
_cell_angle_gamma 79.12271
_cell_volume 472.32029
_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 0.24391 0.30671 0.12418 1.00000
Rb2 Rb 0.71082 0.24817 0.51994 1.00000
Rb3 Rb 0.28918 0.75183 0.48006 1.00000
Rb4 Rb 0.75609 0.69329 0.87582 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
As1 As 0.82883 0.76242 0.27309 1.00000
As2 As 0.17117 0.23758 0.72691 1.00000
S1 S 0.71099 0.01834 0.15012 1.00000
S2 S 0.73472 0.52086 0.21967 1.00000
S3 S 0.13453 0.79375 0.15132 1.00000
S4 S 0.77909 0.78058 0.50363 1.00000
S5 S 0.22091 0.21942 0.49637 1.00000
S6 S 0.86547 0.20625 0.84868 1.00000
S7 S 0.26528 0.47914 0.78033 1.00000
S8 S 0.28901 0.98166 0.84988 1.00000
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