TmHfF7
Alexandria ALEXAlex-ID: agm005283514 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC7_8_spg4
TmHfF7
2023-05-07 14:13:41.938001
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283514).
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 agm005283514
data_agm005283514
_cell_length_a 5.75587
_cell_length_b 5.99118
_cell_length_c 8.19961
_cell_angle_alpha 76.58981
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 275.04963
_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
Tm1 Tm 0.70225 0.34926 0.68853 1.00000
Tm2 Tm 0.20225 0.65074 0.31147 1.00000
Hf1 Hf 0.70335 0.18101 0.22630 1.00000
Hf2 Hf 0.20335 0.81899 0.77370 1.00000
F1 F 0.94640 0.50557 0.49772 1.00000
F2 F 0.44640 0.49443 0.50228 1.00000
F3 F 0.44141 0.07032 0.75813 1.00000
F4 F 0.94141 0.92968 0.24187 1.00000
F5 F 0.96636 0.07197 0.75652 1.00000
F6 F 0.46636 0.92803 0.24348 1.00000
F7 F 0.94850 0.58493 0.79296 1.00000
F8 F 0.44850 0.41507 0.20704 1.00000
F9 F 0.70269 0.22975 0.97600 1.00000
F10 F 0.20269 0.77025 0.02400 1.00000
F11 F 0.70386 0.13484 0.47522 1.00000
F12 F 0.20386 0.86516 0.52478 1.00000
F13 F 0.46153 0.58810 0.79277 1.00000
F14 F 0.96153 0.41190 0.20723 1.00000
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