VCo2P2NO12
Alexandria ALEXAlex-ID: agm005268043 · Space group: Pmc2_1 (#26)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D2E12_9_spg26
Co(NO3)2 VPO5 Co3(PO4)2
2024-10-14 17:23:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005268043).
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 agm005268043
data_agm005268043
_cell_length_a 6.26329
_cell_length_b 7.81227
_cell_length_c 9.89063
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 483.95303
_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 0.00000 0.74990 0.76993 1.00000
V2 V 0.00000 0.25010 0.26993 1.00000
Co1 Co 0.23765 0.06023 0.55459 1.00000
Co2 Co 0.76235 0.06023 0.55459 1.00000
Co3 Co 0.76235 0.93977 0.05459 1.00000
Co4 Co 0.23765 0.93977 0.05459 1.00000
P1 P 0.50000 0.85436 0.78030 1.00000
P2 P 0.50000 0.14564 0.28030 1.00000
P3 P 0.00000 0.39692 0.56258 1.00000
P4 P 0.00000 0.60308 0.06258 1.00000
N1 N 0.50000 0.66529 0.39427 1.00000
N2 N 0.50000 0.33471 0.89427 1.00000
O1 O 0.20513 0.29683 0.60011 1.00000
O2 O 0.79487 0.29683 0.60011 1.00000
O3 O 0.79487 0.70317 0.10011 1.00000
O4 O 0.20513 0.70317 0.10011 1.00000
O5 O 0.50000 0.00062 0.67413 1.00000
O6 O 0.50000 0.99938 0.17413 1.00000
O7 O 0.50000 0.93145 0.92535 1.00000
O8 O 0.50000 0.06855 0.42535 1.00000
O9 O 0.32169 0.71655 0.41496 1.00000
O10 O 0.67831 0.71655 0.41496 1.00000
O11 O 0.67831 0.28345 0.91496 1.00000
O12 O 0.32169 0.28345 0.91496 1.00000
O13 O 0.00000 0.90444 0.89772 1.00000
O14 O 0.00000 0.09556 0.39772 1.00000
O15 O 0.00000 0.93119 0.62847 1.00000
O16 O 0.00000 0.06881 0.12847 1.00000
O17 O 0.00000 0.57381 0.62949 1.00000
O18 O 0.00000 0.42619 0.12949 1.00000
O19 O 0.30366 0.74085 0.75781 1.00000
O20 O 0.69634 0.74085 0.75781 1.00000
O21 O 0.69634 0.25915 0.25781 1.00000
O22 O 0.30366 0.25915 0.25781 1.00000
O23 O 0.00000 0.42569 0.40372 1.00000
O24 O 0.00000 0.57431 0.90372 1.00000
