CaV2Zn2(SiO5)2
Alexandria ALEXAlex-ID: agm005259059 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E10_39_spg1
Zn2SiO4 V2ZnO4 CaSiO3 SiO2
2023-05-07 11:50:33.218363
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005259059).
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 agm005259059
data_agm005259059
_cell_length_a 5.37579
_cell_length_b 5.57649
_cell_length_c 7.54451
_cell_angle_alpha 105.17135
_cell_angle_beta 108.73069
_cell_angle_gamma 98.44984
_cell_volume 200.01627
_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
Ca1 Ca 0.21664 0.57697 0.62074 1.00000
V1 V 0.47843 0.01429 0.48413 1.00000
V2 V 0.52763 0.02364 0.01092 1.00000
Zn1 Zn 0.03794 0.12771 0.78597 1.00000
Zn2 Zn 0.74926 0.65896 0.19214 1.00000
Si1 Si 0.82268 0.64545 0.78192 1.00000
Si2 Si 0.18534 0.36419 0.21230 1.00000
O1 O 0.62035 0.66448 0.90261 1.00000
O2 O 0.71773 0.78277 0.60848 1.00000
O3 O 0.42417 0.36670 0.11997 1.00000
O4 O 0.25301 0.24069 0.39107 1.00000
O5 O 0.14259 0.65387 0.31682 1.00000
O6 O 0.89557 0.21338 0.02710 1.00000
O7 O 0.82304 0.34804 0.66172 1.00000
O8 O 0.13907 0.79074 0.91300 1.00000
O9 O 0.61887 0.96562 0.26637 1.00000
O10 O 0.34975 0.03710 0.71828 1.00000
Get direct link