NaV3CdSe2(SO6)4
Alexandria ALEXAlex-ID: agm010318192 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D3E4F24_1_spg1
NaV(SO4)2 V2S2O11 CdSO4 SeO2 V2Se2O9
2025-02-01 09:53:27
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010318192).
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 agm010318192
data_agm010318192
_cell_length_a 8.63083
_cell_length_b 8.65727
_cell_length_c 9.19808
_cell_angle_alpha 89.61982
_cell_angle_beta 118.30465
_cell_angle_gamma 120.07508
_cell_volume 498.99509
_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
Na1 Na 0.97829 0.50811 0.49649 1.00000
V1 V 0.28901 0.64616 0.94051 1.00000
V2 V 0.68926 0.35151 0.05671 1.00000
V3 V 0.30352 0.15889 0.45396 1.00000
Cd1 Cd 0.71019 0.84914 0.58227 1.00000
Se1 Se 0.19975 0.75139 0.25157 1.00000
Se2 Se 0.78585 0.04313 0.25319 1.00000
S1 S 0.46569 0.51771 0.74859 1.00000
S2 S 0.23147 0.96413 0.75511 1.00000
S3 S 0.78725 0.27487 0.75873 1.00000
S4 S 0.49668 0.45855 0.25449 1.00000
O1 O 0.58556 0.87673 0.06063 1.00000
O2 O 0.37561 0.49759 0.09821 1.00000
O3 O 0.65331 0.66547 0.75126 1.00000
O4 O 0.31295 0.35523 0.58821 1.00000
O5 O 0.98282 0.01464 0.30976 1.00000
O6 O 0.34564 0.69676 0.40712 1.00000
O7 O 0.18995 0.72204 0.06647 1.00000
O8 O 0.34071 0.58724 0.75503 1.00000
O9 O 0.28658 0.97644 0.30307 1.00000
O10 O 0.85916 0.25737 0.22939 1.00000
O11 O 0.95378 0.61446 0.21770 1.00000
O12 O 0.72249 0.02889 0.39880 1.00000
O13 O 0.27882 0.99684 0.61702 1.00000
O14 O 0.99249 0.40886 0.76985 1.00000
O15 O 0.16473 0.76805 0.75609 1.00000
O16 O 0.73395 0.08492 0.73070 1.00000
O17 O 0.59378 0.37150 0.21920 1.00000
O18 O 0.81486 0.33910 0.92360 1.00000
O19 O 0.62562 0.29528 0.61257 1.00000
O20 O 0.06784 0.99357 0.72632 1.00000
O21 O 0.67526 0.63027 0.40203 1.00000
O22 O 0.34162 0.32214 0.29489 1.00000
O23 O 0.53363 0.45289 0.90265 1.00000
O24 O 0.42960 0.09126 0.92820 1.00000
