CsV2ZnO6
Alexandria ALEXAlex-ID: agm004976331 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_574_spg15
Cs2V2ZnO7 V3Zn2O8 Cs2V3O8
2022-07-31 14:58:04.437838
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004976331).
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 agm004976331
data_agm004976331
_cell_length_a 6.02791
_cell_length_b 8.11218
_cell_length_c 8.11218
_cell_angle_alpha 100.50785
_cell_angle_beta 77.99073
_cell_angle_gamma 77.99073
_cell_volume 368.79881
_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
Cs1 Cs 0.25000 0.85884 0.14116 1.00000
Cs2 Cs 0.75000 0.14116 0.85884 1.00000
V1 V 0.35992 0.80405 0.64074 1.00000
V2 V 0.14008 0.35926 0.19595 1.00000
V3 V 0.64008 0.19595 0.35926 1.00000
V4 V 0.85992 0.64074 0.80405 1.00000
Zn1 Zn 0.25000 0.27747 0.72253 1.00000
Zn2 Zn 0.75000 0.72253 0.27747 1.00000
O1 O 0.26688 0.02728 0.67521 1.00000
O2 O 0.23312 0.32479 0.97272 1.00000
O3 O 0.73312 0.97272 0.32479 1.00000
O4 O 0.76688 0.67521 0.02728 1.00000
O5 O 0.46305 0.70201 0.42326 1.00000
O6 O 0.03695 0.57674 0.29799 1.00000
O7 O 0.53695 0.29799 0.57674 1.00000
O8 O 0.96305 0.42326 0.70201 1.00000
O9 O 0.09993 0.74583 0.75446 1.00000
O10 O 0.40007 0.24554 0.25417 1.00000
O11 O 0.90007 0.25417 0.24554 1.00000
O12 O 0.59993 0.75446 0.74583 1.00000
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