Ni(AgSb2)4
Alexandria ALEXAlex-ID: agm097413085 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_543_spg12
NiSb2 Sb Ag
2025-06-17 11:34:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097413085).
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 agm097413085
data_agm097413085
_cell_length_a 5.50906
_cell_length_b 8.15700
_cell_length_c 8.15716
_cell_angle_alpha 60.00215
_cell_angle_beta 89.99532
_cell_angle_gamma 89.99661
_cell_volume 317.45862
_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 0.49999 0.99989 0.99984 1.00000
Ag1 Ag 1.00000 0.00001 0.00023 1.00000
Ag2 Ag 0.00013 0.49982 0.00011 1.00000
Ag3 Ag 0.99989 0.50018 0.49999 1.00000
Ag4 Ag 0.99998 0.00004 0.49976 1.00000
Sb1 Sb 0.69213 0.17232 0.17221 1.00000
Sb2 Sb 0.69251 0.65543 0.17219 1.00000
Sb3 Sb 0.67493 0.66671 0.66684 1.00000
Sb4 Sb 0.69274 0.17224 0.65546 1.00000
Sb5 Sb 0.30781 0.82770 0.34453 1.00000
Sb6 Sb 0.32507 0.33336 0.33353 1.00000
Sb7 Sb 0.30760 0.34453 0.82765 1.00000
Sb8 Sb 0.30723 0.82776 0.82767 1.00000
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