Zn(H3C)2
Alexandria ALEXAlex-ID: agm005268012 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6040_spg14
H4C Zn C
2024-10-05 04:42:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005268012).
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 agm005268012
data_agm005268012
_cell_length_a 7.77616
_cell_length_b 7.75747
_cell_length_c 8.74369
_cell_angle_alpha 57.25592
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 443.63426
_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
Zn1 Zn 0.89296 0.75574 0.24660 1.00000
Zn2 Zn 0.60704 0.75574 0.74660 1.00000
Zn3 Zn 0.10704 0.24426 0.75340 1.00000
Zn4 Zn 0.39296 0.24426 0.25340 1.00000
H1 H 0.10263 0.88721 0.38452 1.00000
H2 H 0.39737 0.88721 0.88452 1.00000
H3 H 0.89737 0.11279 0.61548 1.00000
H4 H 0.60263 0.11279 0.11548 1.00000
H5 H 0.18752 0.92764 0.17855 1.00000
H6 H 0.31248 0.92764 0.67855 1.00000
H7 H 0.81248 0.07236 0.82145 1.00000
H8 H 0.68752 0.07236 0.32145 1.00000
H9 H 0.02477 0.09429 0.17225 1.00000
H10 H 0.47523 0.09429 0.67225 1.00000
H11 H 0.97523 0.90571 0.82775 1.00000
H12 H 0.52477 0.90571 0.32775 1.00000
H13 H 0.59944 0.65963 0.18492 1.00000
H14 H 0.90056 0.65963 0.68492 1.00000
H15 H 0.40056 0.34037 0.81508 1.00000
H16 H 0.09944 0.34037 0.31508 1.00000
H17 H 0.76357 0.50152 0.17970 1.00000
H18 H 0.73643 0.50152 0.67970 1.00000
H19 H 0.23643 0.49848 0.82030 1.00000
H20 H 0.26357 0.49848 0.32030 1.00000
H21 H 0.68677 0.45223 0.39175 1.00000
H22 H 0.81323 0.45223 0.89175 1.00000
H23 H 0.31323 0.54777 0.60825 1.00000
H24 H 0.18677 0.54777 0.10825 1.00000
C1 C 0.06958 0.93446 0.24461 1.00000
C2 C 0.43042 0.93446 0.74461 1.00000
C3 C 0.93042 0.06554 0.75539 1.00000
C4 C 0.56958 0.06554 0.25539 1.00000
C5 C 0.71808 0.57421 0.25085 1.00000
C6 C 0.78192 0.57421 0.75085 1.00000
C7 C 0.28192 0.42579 0.74915 1.00000
C8 C 0.21808 0.42579 0.24915 1.00000
