DyTl(CO3)2
Alexandria ALEXAlex-ID: agm004945142 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_485_spg15
DyTl(CO3)2
2022-07-21 20:33:56.031834
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004945142).
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 agm004945142
data_agm004945142
_cell_length_a 6.46258
_cell_length_b 6.46258
_cell_length_c 7.21631
_cell_angle_alpha 104.33446
_cell_angle_beta 104.33446
_cell_angle_gamma 93.91188
_cell_volume 280.20880
_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
Dy1 Dy 0.59456 0.40544 0.25000 1.00000
Dy2 Dy 0.40544 0.59456 0.75000 1.00000
Tl1 Tl 0.10649 0.89351 0.25000 1.00000
Tl2 Tl 0.89351 0.10649 0.75000 1.00000
C1 C 0.40077 0.14789 0.75654 1.00000
C2 C 0.85211 0.59923 0.74346 1.00000
C3 C 0.59923 0.85211 0.24346 1.00000
C4 C 0.14789 0.40077 0.25654 1.00000
O1 O 0.94804 0.39945 0.24556 1.00000
O2 O 0.60055 0.05196 0.25444 1.00000
O3 O 0.05196 0.60055 0.75444 1.00000
O4 O 0.39945 0.94804 0.74556 1.00000
O5 O 0.21828 0.27160 0.12400 1.00000
O6 O 0.72840 0.78172 0.37600 1.00000
O7 O 0.78172 0.72840 0.87600 1.00000
O8 O 0.27160 0.21828 0.62400 1.00000
O9 O 0.29892 0.53649 0.40208 1.00000
O10 O 0.46351 0.70108 0.09792 1.00000
O11 O 0.70108 0.46351 0.59792 1.00000
O12 O 0.53649 0.29892 0.90208 1.00000
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