Sr2V3P6HO22
Alexandria ALEXAlex-ID: agm006299545 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E22_0_spg2
Sr2V3P6HO22
2025-01-26 04:48:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006299545).
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 agm006299545
data_agm006299545
_cell_length_a 4.89203
_cell_length_b 7.86590
_cell_length_c 11.35390
_cell_angle_alpha 90.60459
_cell_angle_beta 89.51866
_cell_angle_gamma 92.46027
_cell_volume 436.45982
_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
Sr1 Sr 0.25623 0.00697 0.82127 1.00000
Sr2 Sr 0.74377 0.99303 0.17873 1.00000
V1 V 0.00000 0.00000 0.50000 1.00000
V2 V 0.27709 0.48929 0.79973 1.00000
V3 V 0.72291 0.51071 0.20027 1.00000
P1 P 0.81097 0.71567 0.94441 1.00000
P2 P 0.18903 0.28433 0.05559 1.00000
P3 P 0.75953 0.29449 0.66154 1.00000
P4 P 0.24047 0.70551 0.33846 1.00000
P5 P 0.47452 0.75552 0.57634 1.00000
P6 P 0.52548 0.24448 0.42366 1.00000
H1 H 0.50000 0.50000 0.00000 1.00000
O1 O 0.07850 0.68957 0.87321 1.00000
O2 O 0.92150 0.31043 0.12679 1.00000
O3 O 0.59226 0.56732 0.91324 1.00000
O4 O 0.40774 0.43268 0.08676 1.00000
O5 O 0.71458 0.89474 0.91825 1.00000
O6 O 0.28542 0.10526 0.08175 1.00000
O7 O 0.85766 0.69777 0.07889 1.00000
O8 O 0.14234 0.30223 0.92111 1.00000
O9 O 0.87488 0.11530 0.65783 1.00000
O10 O 0.12512 0.88470 0.34217 1.00000
O11 O 0.96818 0.43262 0.69630 1.00000
O12 O 0.03182 0.56738 0.30370 1.00000
O13 O 0.32478 0.65336 0.46952 1.00000
O14 O 0.67522 0.34664 0.53048 1.00000
O15 O 0.49805 0.28883 0.73966 1.00000
O16 O 0.50195 0.71117 0.26034 1.00000
O17 O 0.30726 0.91528 0.60144 1.00000
O18 O 0.69274 0.08472 0.39856 1.00000
O19 O 0.76803 0.79564 0.53754 1.00000
O20 O 0.23197 0.20436 0.46246 1.00000
O21 O 0.46199 0.64352 0.68320 1.00000
O22 O 0.53801 0.35648 0.31680 1.00000
