CdC2S2(IN2)2
Alexandria ALEXAlex-ID: agm005255087 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E4_52_spg14
Cd(IN)2 CS14 CdS C IN4
2024-11-11 22:07:25
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005255087).
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 agm005255087
data_agm005255087
_cell_length_a 6.96320
_cell_length_b 10.85524
_cell_length_c 14.52466
_cell_angle_alpha 94.31073
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1094.77293
_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
Cd1 Cd 0.58349 0.67590 0.26437 1.00000
Cd2 Cd 0.08349 0.32410 0.23563 1.00000
Cd3 Cd 0.41651 0.32410 0.73563 1.00000
Cd4 Cd 0.91651 0.67590 0.76437 1.00000
C1 C 0.33219 0.88774 0.14368 1.00000
C2 C 0.83219 0.11226 0.35632 1.00000
C3 C 0.66781 0.11226 0.85632 1.00000
C4 C 0.16781 0.88774 0.64368 1.00000
C5 C 0.69751 0.75512 0.57779 1.00000
C6 C 0.19751 0.24488 0.92221 1.00000
C7 C 0.30249 0.24488 0.42221 1.00000
C8 C 0.80249 0.75512 0.07779 1.00000
S1 S 0.31958 0.97466 0.25563 1.00000
S2 S 0.81958 0.02534 0.24437 1.00000
S3 S 0.68042 0.02534 0.74437 1.00000
S4 S 0.18042 0.97466 0.75563 1.00000
S5 S 0.53568 0.80699 0.42391 1.00000
S6 S 0.03568 0.19301 0.07609 1.00000
S7 S 0.46432 0.19301 0.57609 1.00000
S8 S 0.96432 0.80699 0.92391 1.00000
I1 I 0.13310 0.76305 0.46387 1.00000
I2 I 0.63310 0.23695 0.03613 1.00000
I3 I 0.86690 0.23695 0.53613 1.00000
I4 I 0.36690 0.76305 0.96387 1.00000
I5 I 0.90670 0.52747 0.33945 1.00000
I6 I 0.40670 0.47253 0.16055 1.00000
I7 I 0.09330 0.47253 0.66055 1.00000
I8 I 0.59330 0.52747 0.83945 1.00000
N1 N 0.33371 0.81472 0.21176 1.00000
N2 N 0.83371 0.18528 0.28824 1.00000
N3 N 0.66629 0.18528 0.78824 1.00000
N4 N 0.16629 0.81472 0.71176 1.00000
N5 N 0.33433 0.91724 0.06058 1.00000
N6 N 0.83433 0.08276 0.43942 1.00000
N7 N 0.66567 0.08276 0.93942 1.00000
N8 N 0.16567 0.91724 0.56058 1.00000
N9 N 0.72659 0.76174 0.65872 1.00000
N10 N 0.22659 0.23826 0.84128 1.00000
N11 N 0.27341 0.23826 0.34128 1.00000
N12 N 0.77341 0.76174 0.15872 1.00000
N13 N 0.67934 0.73442 0.48986 1.00000
N14 N 0.17934 0.26558 0.01014 1.00000
N15 N 0.32066 0.26558 0.51014 1.00000
N16 N 0.82066 0.73442 0.98986 1.00000
