DyTlVO4
Alexandria ALEXAlex-ID: agm005050797 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_696_spg11
DyVO4 Tl
2022-07-16 10:24:03.118620
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005050797).
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 agm005050797
data_agm005050797
_cell_length_a 6.05212
_cell_length_b 5.92105
_cell_length_c 7.57444
_cell_angle_alpha 90.00000
_cell_angle_beta 104.63992
_cell_angle_gamma 90.00000
_cell_volume 262.61673
_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
Dy1 Dy 0.82350 0.75000 0.44550 1.00000
Dy2 Dy 0.17650 0.25000 0.55450 1.00000
Tl1 Tl 0.71908 0.75000 0.91069 1.00000
Tl2 Tl 0.28092 0.25000 0.08931 1.00000
V1 V 0.30291 0.75000 0.35760 1.00000
V2 V 0.69709 0.25000 0.64240 1.00000
O1 O 0.92347 0.47540 0.65545 1.00000
O2 O 0.07653 0.97540 0.34455 1.00000
O3 O 0.07653 0.52460 0.34455 1.00000
O4 O 0.92347 0.02460 0.65545 1.00000
O5 O 0.48803 0.75000 0.20792 1.00000
O6 O 0.51197 0.25000 0.79208 1.00000
O7 O 0.48719 0.75000 0.57640 1.00000
O8 O 0.51281 0.25000 0.42360 1.00000
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