Ni3(AgS)2
Alexandria ALEXAlex-ID: agm010109306 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_96_spg166
Ni3S2 Ag
2024-07-13 20:55:49.628374
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010109306).
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 agm010109306
data_agm010109306
_cell_length_a 3.89056
_cell_length_b 4.99347
_cell_length_c 6.23350
_cell_angle_alpha 108.77457
_cell_angle_beta 88.70303
_cell_angle_gamma 92.50407
_cell_volume 114.54310
_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
Ni1 Ni 0.00000 0.50000 0.00000 1.00000
Ni2 Ni 0.25033 0.49040 0.61932 1.00000
Ni3 Ni 0.74967 0.50960 0.38068 1.00000
Ag1 Ag 0.24004 0.08247 0.17322 1.00000
Ag2 Ag 0.75996 0.91753 0.82678 1.00000
S1 S 0.73384 0.33960 0.68409 1.00000
S2 S 0.26616 0.66040 0.31591 1.00000
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