PuTl2(I2F)2
Alexandria ALEXAlex-ID: agm004565744 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_241_spg12
Pu(TlI3)2 TlI PuF3 I
2022-06-19 13:53:39.193826
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565744).
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 agm004565744
data_agm004565744
_cell_length_a 6.25083
_cell_length_b 7.62933
_cell_length_c 7.62933
_cell_angle_alpha 67.75561
_cell_angle_beta 91.87187
_cell_angle_gamma 91.87187
_cell_volume 336.50146
_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
Pu1 Pu 0.50000 0.00000 0.00000 1.00000
Tl1 Tl 0.27952 0.65001 0.65001 1.00000
Tl2 Tl 0.72048 0.34999 0.34999 1.00000
I1 I 0.25812 0.61798 0.13363 1.00000
I2 I 0.74188 0.86637 0.38202 1.00000
I3 I 0.74188 0.38202 0.86637 1.00000
I4 I 0.25812 0.13363 0.61798 1.00000
F1 F 0.27839 0.11412 0.11412 1.00000
F2 F 0.72161 0.88588 0.88588 1.00000
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