Ta2F13
Alexandria ALEXAlex-ID: agm003285693 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B13_2_spg2
Ta2F13
2022-01-14 12:46:02.483006
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003285693).
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 agm003285693
data_agm003285693
_cell_length_a 5.14890
_cell_length_b 6.61117
_cell_length_c 7.91367
_cell_angle_alpha 116.00937
_cell_angle_beta 91.52529
_cell_angle_gamma 99.60775
_cell_volume 237.18599
_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
Ta1 Ta 0.81611 0.84303 0.72202 1.00000
Ta2 Ta 0.18389 0.15697 0.27798 1.00000
F1 F 0.55975 0.59337 0.08586 1.00000
F2 F 0.44025 0.40663 0.91414 1.00000
F3 F 0.00000 0.00000 0.00000 1.00000
F4 F 0.15297 0.95909 0.65985 1.00000
F5 F 0.84703 0.04091 0.34015 1.00000
F6 F 0.93636 0.58203 0.70479 1.00000
F7 F 0.06364 0.41797 0.29521 1.00000
F8 F 0.64300 0.70607 0.47765 1.00000
F9 F 0.35700 0.29393 0.52235 1.00000
F10 F 0.50633 0.80287 0.83435 1.00000
F11 F 0.49367 0.19713 0.16565 1.00000
F12 F 0.78158 0.15609 0.77852 1.00000
F13 F 0.21842 0.84391 0.22148 1.00000
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