V4Cd3(PO4)6
Alexandria ALEXAlex-ID: agm017019774 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C6D24_0_spg2
V4Cd3(PO4)6
2024-12-11 13:03:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017019774).
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 agm017019774
data_agm017019774
_cell_length_a 6.52741
_cell_length_b 8.40668
_cell_length_c 9.59638
_cell_angle_alpha 106.67711
_cell_angle_beta 108.09317
_cell_angle_gamma 102.47452
_cell_volume 451.77428
_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
V1 V 0.38030 0.45968 0.10893 1.00000
V2 V 0.95738 0.28716 0.46880 1.00000
V3 V 0.61970 0.54032 0.89107 1.00000
V4 V 0.04262 0.71284 0.53120 1.00000
Cd1 Cd 0.71223 0.17937 0.70777 1.00000
Cd2 Cd 0.28777 0.82063 0.29223 1.00000
Cd3 Cd 0.00000 0.00000 0.00000 1.00000
P1 P 0.78051 0.84842 0.24165 1.00000
P2 P 0.21949 0.15158 0.75835 1.00000
P3 P 0.59895 0.75371 0.63631 1.00000
P4 P 0.40105 0.24629 0.36369 1.00000
P5 P 0.89793 0.40718 0.16543 1.00000
P6 P 0.10207 0.59282 0.83457 1.00000
O1 O 0.72213 0.94606 0.76073 1.00000
O2 O 0.27787 0.05394 0.23927 1.00000
O3 O 0.14562 0.78570 0.91644 1.00000
O4 O 0.85438 0.21430 0.08356 1.00000
O5 O 0.20705 0.95982 0.70150 1.00000
O6 O 0.79295 0.04018 0.29850 1.00000
O7 O 0.36254 0.74268 0.51808 1.00000
O8 O 0.63746 0.25732 0.48192 1.00000
O9 O 0.07101 0.54124 0.65495 1.00000
O10 O 0.92899 0.45876 0.34505 1.00000
O11 O 0.74389 0.70495 0.54245 1.00000
O12 O 0.25611 0.29505 0.45755 1.00000
O13 O 0.98228 0.81840 0.35741 1.00000
O14 O 0.68925 0.46175 0.08246 1.00000
O15 O 0.31075 0.53825 0.91754 1.00000
O16 O 0.55185 0.72649 0.23139 1.00000
O17 O 0.44815 0.27351 0.76861 1.00000
O18 O 0.11352 0.52353 0.15924 1.00000
O19 O 0.01772 0.18160 0.64259 1.00000
O20 O 0.44097 0.36458 0.27229 1.00000
O21 O 0.55903 0.63542 0.72771 1.00000
O22 O 0.21223 0.21160 0.92692 1.00000
O23 O 0.78777 0.78840 0.07308 1.00000
O24 O 0.88648 0.47647 0.84076 1.00000
