Pu3PaGe
Alexandria ALEXAlex-ID: agm005822151 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7812_spg15
Pa7Ge Pu5Ge3 Pu
2023-07-07 16:21:00.821914
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005822151).
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 agm005822151
data_agm005822151
_cell_length_a 7.32010
_cell_length_b 7.32008
_cell_length_c 16.26076
_cell_angle_alpha 89.42890
_cell_angle_beta 89.42896
_cell_angle_gamma 50.26284
_cell_volume 669.98530
_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 0.64433 0.35567 0.75000 1.00000
Pu2 Pu 0.35567 0.64433 0.25000 1.00000
Pu3 Pu 0.88755 0.88610 0.90281 1.00000
Pu4 Pu 0.11390 0.11245 0.59719 1.00000
Pu5 Pu 0.11245 0.11390 0.09719 1.00000
Pu6 Pu 0.88610 0.88755 0.40281 1.00000
Pu7 Pu 0.13328 0.34962 0.69804 1.00000
Pu8 Pu 0.65036 0.86673 0.80196 1.00000
Pu9 Pu 0.86672 0.65037 0.30196 1.00000
Pu10 Pu 0.34964 0.13327 0.19804 1.00000
Pu11 Pu 0.31697 0.06128 0.90316 1.00000
Pu12 Pu 0.93873 0.68303 0.59684 1.00000
Pu13 Pu 0.23760 0.51481 0.14043 1.00000
Pu14 Pu 0.48518 0.76241 0.35957 1.00000
Pu15 Pu 0.76240 0.48519 0.85957 1.00000
Pu16 Pu 0.51482 0.23758 0.64043 1.00000
Pu17 Pu 0.06127 0.31697 0.40316 1.00000
Pu18 Pu 0.68303 0.93872 0.09684 1.00000
Pa1 Pa 0.07601 0.92399 0.74999 1.00000
Pa2 Pa 0.92399 0.07601 0.25000 1.00000
Pa3 Pa 0.32422 0.43628 0.86208 1.00000
Pa4 Pa 0.56373 0.67577 0.63792 1.00000
Pa5 Pa 0.67578 0.56372 0.13792 1.00000
Pa6 Pa 0.43627 0.32423 0.36208 1.00000
Ge1 Ge 0.50000 0.00000 0.50000 1.00000
Ge2 Ge 0.00000 0.50000 0.00000 1.00000
Ge3 Ge 0.67818 0.28325 0.00647 1.00000
Ge4 Ge 0.71675 0.32183 0.49353 1.00000
Ge5 Ge 0.32181 0.71676 0.99353 1.00000
Ge6 Ge 0.28325 0.67817 0.50647 1.00000
