Tl2VCuO4
Alexandria ALEXAlex-ID: agm004767992 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_363_spg70
Tl4V2O7 Cu CuO
2022-07-19 04:09:24.860227
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004767992).
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 agm004767992
data_agm004767992
_cell_length_a 4.97921
_cell_length_b 6.34925
_cell_length_c 10.29219
_cell_angle_alpha 84.55741
_cell_angle_beta 76.00174
_cell_angle_gamma 66.91416
_cell_volume 290.43371
_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 0.17089 0.00000 0.65822 1.00000
Tl2 Tl 0.82911 1.00000 0.34178 1.00000
Tl3 Tl 0.57911 0.50000 0.84178 1.00000
Tl4 Tl 0.92089 0.50000 0.15822 1.00000
V1 V 0.25000 0.50000 0.50000 1.00000
V2 V 0.50000 0.00000 0.00000 1.00000
Cu1 Cu 0.75000 0.50000 0.50000 1.00000
Cu2 Cu 0.00000 0.00000 0.00000 1.00000
O1 O 0.33240 0.82185 0.09962 1.00000
O2 O 0.25387 0.17815 0.90038 1.00000
O3 O 0.84575 0.82185 0.90038 1.00000
O4 O 0.56798 0.17815 0.09962 1.00000
O5 O 0.41760 0.67815 0.40038 1.00000
O6 O 0.49613 0.32185 0.59962 1.00000
O7 O 0.90425 0.67815 0.59962 1.00000
O8 O 0.18202 0.32185 0.40038 1.00000
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