Cd4TcCl12
Alexandria ALEXAlex-ID: agm099564385 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_1530_spg1
CdTcCl6 CdCl2
2025-04-21 22:33:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099564385).
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 agm099564385
data_agm099564385
_cell_length_a 7.33990
_cell_length_b 9.63522
_cell_length_c 10.05699
_cell_angle_alpha 98.01999
_cell_angle_beta 90.75757
_cell_angle_gamma 85.10759
_cell_volume 701.72272
_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 0.38792 0.05256 0.14195 1.00000
Cd2 Cd 0.50367 0.43018 0.14450 1.00000
Cd3 Cd 0.86595 0.16770 0.28035 1.00000
Cd4 Cd 0.23788 0.44520 0.47508 1.00000
Tc1 Tc 0.29718 0.65975 0.82555 1.00000
Cl1 Cl 0.53569 0.63231 0.98113 1.00000
Cl2 Cl 0.33073 0.24939 0.00213 1.00000
Cl3 Cl 0.12172 0.69793 0.63608 1.00000
Cl4 Cl 0.49459 0.25609 0.35549 1.00000
Cl5 Cl 0.25935 0.89904 0.89852 1.00000
Cl6 Cl 0.42097 0.44499 0.70174 1.00000
Cl7 Cl 0.71062 0.95861 0.15216 1.00000
Cl8 Cl 0.30861 0.60104 0.30464 1.00000
Cl9 Cl 0.08043 0.58442 0.94106 1.00000
Cl10 Cl 0.95809 0.32269 0.49718 1.00000
Cl11 Cl 0.14652 0.98921 0.28454 1.00000
Cl12 Cl 0.84007 0.35889 0.12791 1.00000
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