PrHfF7
Alexandria ALEXAlex-ID: agm005288385 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
PrHfF7
2023-05-07 14:02:58.233143
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288385).
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 agm005288385
data_agm005288385
_cell_length_a 5.92301
_cell_length_b 6.28870
_cell_length_c 8.50863
_cell_angle_alpha 77.45432
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 309.36239
_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 0.69940 0.34189 0.68947 1.00000
Pr2 Pr 0.19940 0.65811 0.31053 1.00000
Hf1 Hf 0.70812 0.18842 0.22428 1.00000
Hf2 Hf 0.20812 0.81158 0.77572 1.00000
F1 F 0.89113 0.55445 0.47769 1.00000
F2 F 0.39113 0.44555 0.52231 1.00000
F3 F 0.44412 0.04341 0.76797 1.00000
F4 F 0.94412 0.95659 0.23203 1.00000
F5 F 0.97477 0.05015 0.75542 1.00000
F6 F 0.47477 0.94985 0.24458 1.00000
F7 F 0.97612 0.57494 0.78990 1.00000
F8 F 0.47612 0.42506 0.21010 1.00000
F9 F 0.70097 0.23315 0.98363 1.00000
F10 F 0.20097 0.76685 0.01637 1.00000
F11 F 0.71685 0.14476 0.46470 1.00000
F12 F 0.21685 0.85524 0.53530 1.00000
F13 F 0.46487 0.59762 0.79306 1.00000
F14 F 0.96487 0.40238 0.20694 1.00000
Get direct link