Tl2CO6
Alexandria ALEXAlex-ID: agm097404381 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1299_spg12
TlCO5 Tl2O3 CO2
2025-04-08 11:57:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097404381).
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 agm097404381
data_agm097404381
_cell_length_a 4.19217
_cell_length_b 4.14718
_cell_length_c 7.86423
_cell_angle_alpha 97.55459
_cell_angle_beta 82.91589
_cell_angle_gamma 89.18785
_cell_volume 134.43951
_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 0.72883 0.81208 0.90161 1.00000
Tl2 Tl 0.30136 0.23691 0.64264 1.00000
C1 C 0.39706 0.16857 0.24851 1.00000
O1 O 0.38197 0.19755 0.09368 1.00000
O2 O 0.22471 0.33198 0.37851 1.00000
O3 O 0.82254 0.75906 0.16784 1.00000
O4 O 0.26800 0.77117 0.76214 1.00000
O5 O 0.60398 0.95096 0.29890 1.00000
O6 O 0.77156 0.27171 0.75617 1.00000
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