Tl2CdO6
Alexandria ALEXAlex-ID: agm097359477 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_787_spg12
Tl2CdO4 CdO4 Tl2O3
2025-04-08 14:28:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097359477).
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
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# CIF generated by HEAS from Alexandria entry agm097359477
data_agm097359477
_cell_length_a 3.80724
_cell_length_b 5.88603
_cell_length_c 6.42578
_cell_angle_alpha 78.66424
_cell_angle_beta 104.49111
_cell_angle_gamma 83.53972
_cell_volume 134.70026
_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
Tl1 Tl 0.61982 0.79104 0.98045 1.00000
Tl2 Tl 0.93606 0.76441 0.51960 1.00000
Cd1 Cd 0.27828 0.27789 0.24998 1.00000
O1 O 0.93274 0.21876 0.79000 1.00000
O2 O 0.43251 0.92972 0.59241 1.00000
O3 O 0.82652 0.50676 0.31432 1.00000
O4 O 0.12346 0.62562 0.90776 1.00000
O5 O 0.72960 0.04862 0.18575 1.00000
O6 O 0.62102 0.33718 0.70973 1.00000
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