HoPuF7
Alexandria ALEXAlex-ID: agm024221349 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
HoPuF7
2024-12-03 03:46:33
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024221349).
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 agm024221349
data_agm024221349
_cell_length_a 6.21618
_cell_length_b 5.96636
_cell_length_c 8.48970
_cell_angle_alpha 90.00000
_cell_angle_beta 103.47481
_cell_angle_gamma 90.00000
_cell_volume 306.19861
_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
Ho1 Ho 0.64716 0.29712 0.18411 1.00000
Ho2 Ho 0.35284 0.79712 0.81589 1.00000
Pu1 Pu 0.81778 0.29655 0.72613 1.00000
Pu2 Pu 0.18222 0.79655 0.27387 1.00000
F1 F 0.50009 0.04904 0.99890 1.00000
F2 F 0.49991 0.54904 0.00110 1.00000
F3 F 0.91499 0.55654 0.25447 1.00000
F4 F 0.08501 0.05654 0.74553 1.00000
F5 F 0.92252 0.04526 0.25474 1.00000
F6 F 0.07748 0.54526 0.74526 1.00000
F7 F 0.43021 0.05748 0.29354 1.00000
F8 F 0.56979 0.55748 0.70646 1.00000
F9 F 0.77390 0.29795 0.46888 1.00000
F10 F 0.22610 0.79795 0.53112 1.00000
F11 F 0.86508 0.29929 0.98411 1.00000
F12 F 0.13492 0.79929 0.01589 1.00000
F13 F 0.41919 0.52462 0.29216 1.00000
F14 F 0.58081 0.02462 0.70784 1.00000
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