Tc2AgCl8
Alexandria ALEXAlex-ID: agm005999320 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_545_spg12
TcCl4 Tc(AgCl3)2 TcCl3
2023-09-26 07:26:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005999320).
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 agm005999320
data_agm005999320
_cell_length_a 6.57673
_cell_length_b 7.05942
_cell_length_c 8.26141
_cell_angle_alpha 125.68614
_cell_angle_beta 90.06295
_cell_angle_gamma 92.73304
_cell_volume 310.98488
_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
Tc1 Tc 0.14934 0.16475 0.58212 1.00000
Tc2 Tc 0.85066 0.83525 0.41786 1.00000
Ag1 Ag 0.00000 0.00000 0.99999 1.00000
Cl1 Cl 0.19800 0.76230 0.38308 1.00000
Cl2 Cl 0.80200 0.23770 0.61689 1.00000
Cl3 Cl 0.76822 0.82588 0.13930 1.00000
Cl4 Cl 0.23372 0.17032 0.31147 1.00000
Cl5 Cl 0.24482 0.56480 0.78051 1.00000
Cl6 Cl 0.23178 0.17414 0.86069 1.00000
Cl7 Cl 0.76628 0.82967 0.68850 1.00000
Cl8 Cl 0.75518 0.43520 0.21949 1.00000
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