PrPu3Tc2
Alexandria ALEXAlex-ID: agm005689152 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1326_spg63
Pr2PuTc2 Pu Tc
2023-08-25 07:20:27.394827
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689152).
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 agm005689152
data_agm005689152
_cell_length_a 5.76787
_cell_length_b 6.89662
_cell_length_c 6.89662
_cell_angle_alpha 106.03338
_cell_angle_beta 90.10421
_cell_angle_gamma 90.10422
_cell_volume 263.66670
_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
Pr1 Pr 0.24946 0.36625 0.36625 1.00000
Pr2 Pr 0.75054 0.63375 0.63375 1.00000
Pu1 Pu 0.74981 0.41312 0.07829 1.00000
Pu2 Pu 0.74981 0.07829 0.41312 1.00000
Pu3 Pu 0.25019 0.58688 0.92171 1.00000
Pu4 Pu 0.74956 0.03784 0.03784 1.00000
Pu5 Pu 0.25044 0.96216 0.96216 1.00000
Pu6 Pu 0.25019 0.92171 0.58688 1.00000
Tc1 Tc 0.50000 0.74251 0.25749 1.00000
Tc2 Tc 0.00000 0.74269 0.25731 1.00000
Tc3 Tc 1.00000 0.25731 0.74269 1.00000
Tc4 Tc 0.50000 0.25749 0.74251 1.00000
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