TmPu(AgS2)2
Alexandria ALEXAlex-ID: agm004871663 · Space group: I-4m2 (#119)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_679_spg119
PuS2 TmAgS2 Ag
2022-07-19 13:59:28.582821
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004871663).
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 agm004871663
data_agm004871663
_cell_length_a 5.39348
_cell_length_b 5.39353
_cell_length_c 7.18777
_cell_angle_alpha 112.03803
_cell_angle_beta 112.03608
_cell_angle_gamma 89.99910
_cell_volume 177.22824
_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
Tm1 Tm 0.74999 0.25000 0.49999 1.00000
Pu1 Pu 0.50000 0.49999 0.00001 1.00000
Ag1 Ag 0.25003 0.75001 0.50005 1.00000
Ag2 Ag 0.99997 0.00001 0.99995 1.00000
S1 S 0.97128 0.47130 0.94255 1.00000
S2 S 0.52873 0.02871 0.05745 1.00000
S3 S 0.73109 0.73107 0.46217 1.00000
S4 S 0.26892 0.26890 0.53783 1.00000
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