Na3(TlCd)4
Alexandria ALEXAlex-ID: agm005694927 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
NaTl2 Tl NaCd2
2023-06-29 21:18:23.949133
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694927).
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 agm005694927
data_agm005694927
_cell_length_a 3.49364
_cell_length_b 5.25981
_cell_length_c 16.52953
_cell_angle_alpha 80.84515
_cell_angle_beta 83.93372
_cell_angle_gamma 90.00000
_cell_volume 298.15273
_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
Na1 Na 0.13998 0.63998 0.72005 1.00000
Na2 Na 0.86002 0.36002 0.27995 1.00000
Na3 Na 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.68380 0.18380 0.63240 1.00000
Tl2 Tl 0.54777 0.54777 0.90446 1.00000
Tl3 Tl 0.45223 0.45223 0.09554 1.00000
Tl4 Tl 0.31620 0.81620 0.36760 1.00000
Cd1 Cd 0.73224 0.73224 0.53552 1.00000
Cd2 Cd 0.40863 0.90863 0.18274 1.00000
Cd3 Cd 0.59137 0.09137 0.81726 1.00000
Cd4 Cd 0.26776 0.26776 0.46448 1.00000
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