NdHfF7
Alexandria ALEXAlex-ID: agm005289980 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
NdHfF7
2023-05-07 13:55:12.556750
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289980).
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 agm005289980
data_agm005289980
_cell_length_a 5.90247
_cell_length_b 6.24770
_cell_length_c 8.46477
_cell_angle_alpha 77.36753
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 304.59770
_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
Nd1 Nd 0.69939 0.34263 0.68935 1.00000
Nd2 Nd 0.19939 0.65737 0.31065 1.00000
Hf1 Hf 0.70758 0.18786 0.22445 1.00000
Hf2 Hf 0.20758 0.81214 0.77555 1.00000
F1 F 0.89569 0.55008 0.47917 1.00000
F2 F 0.39569 0.44992 0.52083 1.00000
F3 F 0.44411 0.04607 0.76677 1.00000
F4 F 0.94411 0.95393 0.23323 1.00000
F5 F 0.97391 0.05282 0.75515 1.00000
F6 F 0.47391 0.94718 0.24485 1.00000
F7 F 0.97409 0.57441 0.79068 1.00000
F8 F 0.47409 0.42559 0.20932 1.00000
F9 F 0.70102 0.23236 0.98256 1.00000
F10 F 0.20102 0.76764 0.01744 1.00000
F11 F 0.71499 0.14392 0.46612 1.00000
F12 F 0.21499 0.85608 0.53388 1.00000
F13 F 0.46558 0.59708 0.79312 1.00000
F14 F 0.96558 0.40292 0.20688 1.00000
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