TbHfF7
Alexandria ALEXAlex-ID: agm005270345 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
TbHfF7
2023-05-07 14:05:20.959287
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270345).
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 agm005270345
data_agm005270345
_cell_length_a 5.82046
_cell_length_b 6.08602
_cell_length_c 8.29768
_cell_angle_alpha 76.89641
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 286.27887
_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
Tb1 Tb 0.69987 0.34676 0.68918 1.00000
Tb2 Tb 0.19987 0.65324 0.31082 1.00000
Hf1 Hf 0.70511 0.18341 0.22579 1.00000
Hf2 Hf 0.20511 0.81659 0.77421 1.00000
F1 F 0.92015 0.52845 0.48847 1.00000
F2 F 0.42015 0.47155 0.51153 1.00000
F3 F 0.44472 0.05850 0.76238 1.00000
F4 F 0.94472 0.94150 0.23762 1.00000
F5 F 0.97234 0.06763 0.75479 1.00000
F6 F 0.47234 0.93237 0.24521 1.00000
F7 F 0.95951 0.58039 0.79271 1.00000
F8 F 0.45951 0.41961 0.20729 1.00000
F9 F 0.70188 0.23032 0.97860 1.00000
F10 F 0.20188 0.76968 0.02140 1.00000
F11 F 0.70900 0.13824 0.47196 1.00000
F12 F 0.20900 0.86176 0.52804 1.00000
F13 F 0.46378 0.59239 0.79306 1.00000
F14 F 0.96378 0.40761 0.20694 1.00000
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