SrTmV2O6
Alexandria ALEXAlex-ID: agm011336765 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_406_spg14
SrVO3 TmVO3
2024-05-05 03:30:25.956499
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011336765).
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 agm011336765
data_agm011336765
_cell_length_a 5.62832
_cell_length_b 5.40686
_cell_length_c 9.42176
_cell_angle_alpha 55.32026
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 235.78147
_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
Sr1 Sr 0.28764 0.74097 0.75139 1.00000
Sr2 Sr 0.71236 0.74097 0.25139 1.00000
Tm1 Tm 0.81752 0.26750 0.75108 1.00000
Tm2 Tm 0.18248 0.26750 0.25108 1.00000
V1 V 0.25448 0.49937 0.50029 1.00000
V2 V 0.74552 0.49937 0.00029 1.00000
V3 V 0.74562 0.99747 0.50187 1.00000
V4 V 0.25438 0.99747 0.00187 1.00000
O1 O 0.27257 0.86858 0.25093 1.00000
O2 O 0.72743 0.86858 0.75093 1.00000
O3 O 0.56531 0.26114 0.94727 1.00000
O4 O 0.43469 0.26114 0.44727 1.00000
O5 O 0.55594 0.63596 0.55502 1.00000
O6 O 0.44406 0.63596 0.05502 1.00000
O7 O 0.02375 0.32217 0.95394 1.00000
O8 O 0.97625 0.32217 0.45394 1.00000
O9 O 0.03769 0.72540 0.53915 1.00000
O10 O 0.96231 0.72540 0.03915 1.00000
O11 O 0.78979 0.18147 0.24905 1.00000
O12 O 0.21021 0.18147 0.74905 1.00000
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