PuGeF7
Alexandria ALEXAlex-ID: agm024124663 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PuGeF7
2024-12-18 01:23:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024124663).
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 agm024124663
data_agm024124663
_cell_length_a 6.10220
_cell_length_b 5.56284
_cell_length_c 8.19447
_cell_angle_alpha 90.00000
_cell_angle_beta 101.70446
_cell_angle_gamma 90.00000
_cell_volume 272.38214
_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 0.33517 0.24446 0.31066 1.00000
Pu2 Pu 0.66483 0.74446 0.68934 1.00000
Ge1 Ge 0.19436 0.23261 0.77840 1.00000
Ge2 Ge 0.80564 0.73261 0.22160 1.00000
F1 F 0.42392 0.58587 0.46838 1.00000
F2 F 0.57608 0.08587 0.53162 1.00000
F3 F 0.03433 0.51825 0.22421 1.00000
F4 F 0.96567 0.01825 0.77579 1.00000
F5 F 0.23598 0.24269 0.00495 1.00000
F6 F 0.76402 0.74269 0.99505 1.00000
F7 F 0.01011 0.97917 0.23805 1.00000
F8 F 0.98989 0.47917 0.76195 1.00000
F9 F 0.61294 0.47489 0.20577 1.00000
F10 F 0.38706 0.97489 0.79423 1.00000
F11 F 0.42803 0.44180 0.78811 1.00000
F12 F 0.57197 0.94180 0.21189 1.00000
F13 F 0.14617 0.21825 0.55063 1.00000
F14 F 0.85383 0.71825 0.44937 1.00000
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