Ca4V5(TeO8)3
Alexandria ALEXAlex-ID: agm016971918 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5D24_0_spg1
CaV2O6 CaVTeO6
2025-01-23 02:02:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016971918).
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 agm016971918
data_agm016971918
_cell_length_a 7.22717
_cell_length_b 7.24498
_cell_length_c 10.30234
_cell_angle_alpha 110.69163
_cell_angle_beta 110.16751
_cell_angle_gamma 90.54149
_cell_volume 468.37868
_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 0.99759 0.99221 0.00083 1.00000
Ca2 Ca 0.49737 0.49717 0.99712 1.00000
Ca3 Ca 0.00620 0.49913 0.50539 1.00000
Ca4 Ca 0.49620 0.00702 0.50044 1.00000
V1 V 0.09220 0.56569 0.17969 1.00000
V2 V 0.55961 0.08243 0.16148 1.00000
V3 V 0.07850 0.07743 0.66246 1.00000
V4 V 0.58059 0.56737 0.66059 1.00000
V5 V 0.44800 0.43704 0.34154 1.00000
Te1 Te 0.90686 0.91397 0.32791 1.00000
Te2 Te 0.92155 0.42257 0.83871 1.00000
Te3 Te 0.41437 0.91073 0.83094 1.00000
O1 O 0.45752 0.33796 0.49546 1.00000
O2 O 0.94947 0.82688 0.49582 1.00000
O3 O 0.96049 0.33119 0.00604 1.00000
O4 O 0.45571 0.82494 0.99822 1.00000
O5 O 0.33532 0.15356 0.18956 1.00000
O6 O 0.82788 0.63905 0.18312 1.00000
O7 O 0.83249 0.14637 0.69121 1.00000
O8 O 0.32334 0.64142 0.68417 1.00000
O9 O 0.13728 0.45491 0.30985 1.00000
O10 O 0.63945 0.95659 0.31724 1.00000
O11 O 0.64315 0.45338 0.81358 1.00000
O12 O 0.14258 0.95155 0.81307 1.00000
O13 O 0.53104 0.67100 0.49137 1.00000
O14 O 0.04614 0.16395 0.49715 1.00000
O15 O 0.04224 0.66953 0.00500 1.00000
O16 O 0.54107 0.16639 0.99755 1.00000
O17 O 0.67027 0.36935 0.32029 1.00000
O18 O 0.16499 0.84508 0.31082 1.00000
O19 O 0.17005 0.35737 0.81645 1.00000
O20 O 0.66634 0.84790 0.80921 1.00000
O21 O 0.35127 0.54246 0.18906 1.00000
O22 O 0.84909 0.04130 0.18528 1.00000
O23 O 0.85767 0.54118 0.68722 1.00000
O24 O 0.35292 0.04073 0.68614 1.00000
