AgC8S4N4Cl
Alexandria ALEXAlex-ID: agm005223917 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D4E8_14_spg82
SN AgN2Cl CS14 C
2024-11-12 02:44:54
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223917).
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 agm005223917
data_agm005223917
_cell_length_a 8.49477
_cell_length_b 8.49477
_cell_length_c 8.49477
_cell_angle_alpha 99.18739
_cell_angle_beta 99.18739
_cell_angle_gamma 132.89618
_cell_volume 411.66206
_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
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
C1 C 0.03309 0.89555 0.66190 1.00000
C2 C 0.23364 0.37119 0.33810 1.00000
C3 C 0.62881 0.96691 0.86246 1.00000
C4 C 0.10445 0.76636 0.13754 1.00000
C5 C 0.90258 0.76873 0.75519 1.00000
C6 C 0.01354 0.14739 0.24481 1.00000
C7 C 0.85261 0.09742 0.86615 1.00000
C8 C 0.23127 0.98646 0.13385 1.00000
S1 S 0.70362 0.49569 0.70873 1.00000
S2 S 0.78697 0.99489 0.29127 1.00000
S3 S 0.00511 0.29638 0.79208 1.00000
S4 S 0.50431 0.21303 0.20792 1.00000
N1 N 0.14902 0.01759 0.59246 1.00000
N2 N 0.42513 0.55656 0.40754 1.00000
N3 N 0.44344 0.85098 0.86857 1.00000
N4 N 0.98241 0.57487 0.13143 1.00000
Cl1 Cl 0.75000 0.25000 0.50000 1.00000
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