TlV2(O2F)2
Alexandria ALEXAlex-ID: agm010874129 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D4_753_spg9
Tl3V5O14 Tl2VF6 V4O9 TlVF4
2024-04-09 20:09:41.795617
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010874129).
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 agm010874129
data_agm010874129
_cell_length_a 7.06072
_cell_length_b 7.06072
_cell_length_c 7.30195
_cell_angle_alpha 61.43964
_cell_angle_beta 61.43964
_cell_angle_gamma 89.69518
_cell_volume 268.80889
_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
Tl1 Tl 0.27824 0.56216 0.36423 1.00000
Tl2 Tl 0.56216 0.27824 0.86423 1.00000
V1 V 0.01965 0.51719 0.96945 1.00000
V2 V 0.51719 0.01965 0.46945 1.00000
V3 V 0.99283 0.99300 0.03158 1.00000
V4 V 0.99300 0.99283 0.53158 1.00000
O1 O 0.06602 0.32007 0.87530 1.00000
O2 O 0.08663 0.95542 0.21987 1.00000
O3 O 0.32007 0.06602 0.37530 1.00000
O4 O 0.72202 0.98708 0.56087 1.00000
O5 O 0.70749 0.95008 0.21954 1.00000
O6 O 0.95542 0.08663 0.71987 1.00000
O7 O 0.98708 0.72202 0.06087 1.00000
O8 O 0.95008 0.70749 0.71954 1.00000
F1 F 0.09919 0.34101 0.22116 1.00000
F2 F 0.69077 0.35150 0.21784 1.00000
F3 F 0.34101 0.09919 0.72116 1.00000
F4 F 0.35150 0.69077 0.71784 1.00000
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