Tm2PuCd6
Alexandria ALEXAlex-ID: agm005606145 · Space group: P6/mmm (#191)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_650_spg65
TmCd2 PuCd2
2023-07-12 08:28:59.222273
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606145).
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 agm005606145
data_agm005606145
_cell_length_a 3.28174
_cell_length_b 8.72391
_cell_length_c 8.72391
_cell_angle_alpha 59.99975
_cell_angle_beta 90.00970
_cell_angle_gamma 90.00969
_cell_volume 216.29969
_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 0.00001 0.33333 0.33333 1.00000
Tm2 Tm 0.99999 0.66667 0.66667 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.49929 0.66386 0.00001 1.00000
Cd2 Cd 0.50071 0.99999 0.33614 1.00000
Cd3 Cd 0.50071 0.33614 0.99999 1.00000
Cd4 Cd 0.50000 0.66385 0.33615 1.00000
Cd5 Cd 0.49929 0.00001 0.66386 1.00000
Cd6 Cd 0.50000 0.33615 0.66385 1.00000
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