ZnH8C2(SN3)2
Alexandria ALEXAlex-ID: agm006221014 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6E8_10_spg14
H8SN2 H9C6N11 ZnS N2 SN
2024-03-16 11:17:59.437312
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006221014).
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 agm006221014
data_agm006221014
_cell_length_a 15.40764
_cell_length_b 4.21268
_cell_length_c 7.19512
_cell_angle_alpha 84.53450
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 464.89329
_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
C1 C 0.12919 0.92308 0.64311 1.00000
C2 C 0.62919 0.07692 0.85689 1.00000
C3 C 0.87081 0.07692 0.35689 1.00000
C4 C 0.37081 0.92308 0.14311 1.00000
H1 H 0.87161 0.53913 0.03708 1.00000
H2 H 0.37161 0.46087 0.46292 1.00000
H3 H 0.12839 0.46087 0.96292 1.00000
H4 H 0.62839 0.53913 0.53708 1.00000
H5 H 0.85290 0.76265 0.83896 1.00000
H6 H 0.35290 0.23735 0.66104 1.00000
H7 H 0.14710 0.23735 0.16104 1.00000
H8 H 0.64710 0.76265 0.33896 1.00000
H9 H 0.89361 0.31467 0.73140 1.00000
H10 H 0.39361 0.68533 0.76860 1.00000
H11 H 0.10639 0.68533 0.26860 1.00000
H12 H 0.60639 0.31467 0.23140 1.00000
H13 H 0.98804 0.50510 0.74218 1.00000
H14 H 0.48804 0.49490 0.75782 1.00000
H15 H 0.01196 0.49490 0.25782 1.00000
H16 H 0.51196 0.50510 0.24218 1.00000
Zn1 Zn 0.00000 0.00000 0.00000 1.00000
Zn2 Zn 0.50000 0.00000 0.50000 1.00000
S1 S 0.20152 0.95431 0.47913 1.00000
S2 S 0.70152 0.04569 0.02087 1.00000
S3 S 0.79848 0.04569 0.52087 1.00000
S4 S 0.29848 0.95431 0.97913 1.00000
N1 N 0.90075 0.64840 0.91983 1.00000
N2 N 0.40075 0.35160 0.58017 1.00000
N3 N 0.09925 0.35160 0.08017 1.00000
N4 N 0.59925 0.64840 0.41983 1.00000
N5 N 0.93862 0.39872 0.82135 1.00000
N6 N 0.43862 0.60128 0.67865 1.00000
N7 N 0.06138 0.60128 0.17865 1.00000
N8 N 0.56138 0.39872 0.32135 1.00000
N9 N 0.07639 0.89282 0.76459 1.00000
N10 N 0.57639 0.10718 0.73541 1.00000
N11 N 0.92361 0.10718 0.23541 1.00000
N12 N 0.42361 0.89282 0.26459 1.00000
