Tm2Cd12Ag
Alexandria ALEXAlex-ID: agm005777733 · Space group: P4/nbm (#125)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C12_70_spg125
Tm11Cd45 Cd2Ag Cd
2023-07-16 16:19:50.677584
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005777733).
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 agm005777733
data_agm005777733
_cell_length_a 6.12452
_cell_length_b 6.12452
_cell_length_c 19.21284
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 720.66929
_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
Tm1 Tm 0.50000 0.00000 0.25858 1.00000
Tm2 Tm 0.00000 0.50000 0.25858 1.00000
Tm3 Tm 0.00000 0.50000 0.74142 1.00000
Tm4 Tm 0.50000 0.00000 0.74142 1.00000
Cd1 Cd 0.50000 0.50000 0.80353 1.00000
Cd2 Cd 0.00000 0.00000 0.80353 1.00000
Cd3 Cd 0.75023 0.74977 0.90431 1.00000
Cd4 Cd 0.25023 0.75023 0.90431 1.00000
Cd5 Cd 0.00000 0.00000 0.33748 1.00000
Cd6 Cd 0.24977 0.74977 0.09569 1.00000
Cd7 Cd 0.82978 0.32978 0.56756 1.00000
Cd8 Cd 0.50000 0.50000 0.33748 1.00000
Cd9 Cd 0.24977 0.25023 0.90431 1.00000
Cd10 Cd 0.74977 0.75023 0.09569 1.00000
Cd11 Cd 0.32978 0.17022 0.56756 1.00000
Cd12 Cd 0.67022 0.17022 0.43244 1.00000
Cd13 Cd 0.00000 0.00000 0.66252 1.00000
Cd14 Cd 0.17022 0.32978 0.43244 1.00000
Cd15 Cd 0.25023 0.24977 0.09569 1.00000
Cd16 Cd 0.82978 0.67022 0.43244 1.00000
Cd17 Cd 0.67022 0.82978 0.56756 1.00000
Cd18 Cd 0.00000 0.00000 0.19647 1.00000
Cd19 Cd 0.17022 0.67022 0.56756 1.00000
Cd20 Cd 0.50000 0.50000 0.66252 1.00000
Cd21 Cd 0.74977 0.24977 0.90431 1.00000
Cd22 Cd 0.50000 0.50000 0.19647 1.00000
Cd23 Cd 0.32978 0.82978 0.43244 1.00000
Cd24 Cd 0.75023 0.25023 0.09569 1.00000
Ag1 Ag 0.50000 0.00000 0.00000 1.00000
Ag2 Ag 0.00000 0.50000 0.00000 1.00000
