VCdPO7
Alexandria ALEXAlex-ID: agm005274637 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD7_41_spg4
V2CdO6 VPO5 Cd2P2O7 V2CdO10
2023-05-08 13:40:51.503979
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005274637).
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 agm005274637
data_agm005274637
_cell_length_a 7.03902
_cell_length_b 5.53132
_cell_length_c 7.46242
_cell_angle_alpha 73.10545
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 278.01015
_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 0.47396 0.45063 0.04067 1.00000
V2 V 0.97396 0.54937 0.95933 1.00000
Cd1 Cd 0.00030 0.00573 0.50356 1.00000
Cd2 Cd 0.50030 0.99427 0.49644 1.00000
P1 P 0.25055 0.44358 0.65720 1.00000
P2 P 0.75055 0.55642 0.34280 1.00000
O1 O 0.24578 0.71694 0.52812 1.00000
O2 O 0.74578 0.28306 0.47188 1.00000
O3 O 0.43261 0.16178 0.18030 1.00000
O4 O 0.93261 0.83822 0.81970 1.00000
O5 O 0.25481 0.24415 0.55045 1.00000
O6 O 0.75481 0.75585 0.44955 1.00000
O7 O 0.01381 0.22056 0.18165 1.00000
O8 O 0.51381 0.77944 0.81835 1.00000
O9 O 0.43561 0.39936 0.78340 1.00000
O10 O 0.93561 0.60064 0.21660 1.00000
O11 O 0.07024 0.39137 0.78508 1.00000
O12 O 0.57024 0.60863 0.21492 1.00000
O13 O 0.24852 0.60085 0.01581 1.00000
O14 O 0.74852 0.39915 0.98419 1.00000
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