ZrV2Cr3(PO4)6
Alexandria ALEXAlex-ID: agm010945382 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
CrPO4 Cr3(PO4)2 VPO4 Zr4Cr(PO4)6
2024-05-31 15:23:31.126601
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010945382).
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 agm010945382
data_agm010945382
_cell_length_a 8.60360
_cell_length_b 8.60360
_cell_length_c 8.60360
_cell_angle_alpha 60.48461
_cell_angle_beta 60.48461
_cell_angle_gamma 60.48461
_cell_volume 455.25682
_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
Zr1 Zr 0.14437 0.14437 0.14437 1.00000
V1 V 0.99787 0.99787 0.99787 1.00000
V2 V 0.49994 0.49994 0.49994 1.00000
Cr1 Cr 0.64228 0.64228 0.64228 1.00000
Cr2 Cr 0.85599 0.85599 0.85599 1.00000
Cr3 Cr 0.35806 0.35806 0.35806 1.00000
P1 P 0.55373 0.25170 0.95340 1.00000
P2 P 0.25170 0.95340 0.55373 1.00000
P3 P 0.95340 0.55373 0.25170 1.00000
P4 P 0.04059 0.46207 0.74264 1.00000
P5 P 0.74264 0.04059 0.46207 1.00000
P6 P 0.46207 0.74264 0.04059 1.00000
O1 O 0.31014 0.11343 0.51111 1.00000
O2 O 0.11343 0.51111 0.31014 1.00000
O3 O 0.51111 0.31014 0.11343 1.00000
O4 O 0.75015 0.09081 0.93358 1.00000
O5 O 0.39848 0.18295 0.99327 1.00000
O6 O 0.56414 0.40952 0.75515 1.00000
O7 O 0.09081 0.93358 0.75015 1.00000
O8 O 0.40952 0.75515 0.56414 1.00000
O9 O 0.00284 0.60913 0.81756 1.00000
O10 O 0.75515 0.56414 0.40952 1.00000
O11 O 0.05709 0.25907 0.90075 1.00000
O12 O 0.81756 0.00284 0.60913 1.00000
O13 O 0.18295 0.99327 0.39848 1.00000
O14 O 0.93358 0.75015 0.09081 1.00000
O15 O 0.24314 0.44296 0.58752 1.00000
O16 O 0.99327 0.39848 0.18295 1.00000
O17 O 0.58752 0.24314 0.44296 1.00000
O18 O 0.90075 0.05709 0.25907 1.00000
O19 O 0.44296 0.58752 0.24314 1.00000
O20 O 0.60913 0.81756 0.00284 1.00000
O21 O 0.25907 0.90075 0.05709 1.00000
O22 O 0.50161 0.67266 0.89032 1.00000
O23 O 0.89032 0.50161 0.67266 1.00000
O24 O 0.67266 0.89032 0.50161 1.00000
