HfP6(WO8)3
Alexandria ALEXAlex-ID: agm021034802 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
PWO5 P3(WO6)2 HfP2O7
2024-12-11 13:43:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021034802).
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 agm021034802
data_agm021034802
_cell_length_a 8.80573
_cell_length_b 8.79855
_cell_length_c 9.06779
_cell_angle_alpha 60.85210
_cell_angle_beta 60.92139
_cell_angle_gamma 60.15865
_cell_volume 503.94894
_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
Hf1 Hf 0.85847 0.85895 0.42535 1.00000
P1 P 0.46514 0.03645 0.75085 1.00000
P2 P 0.75171 0.46334 0.75159 1.00000
P3 P 0.03644 0.74829 0.74948 1.00000
P4 P 0.96325 0.25635 0.25048 1.00000
P5 P 0.25605 0.53188 0.24663 1.00000
P6 P 0.52976 0.96497 0.24980 1.00000
W1 W 0.14411 0.13997 0.56988 1.00000
W2 W 0.35745 0.35991 0.92788 1.00000
W3 W 0.64255 0.64404 0.06903 1.00000
O1 O 0.49907 0.13127 0.08018 1.00000
O2 O 0.12916 0.29831 0.08007 1.00000
O3 O 0.29805 0.05375 0.72352 1.00000
O4 O 0.29356 0.51386 0.06891 1.00000
O5 O 0.42317 0.21743 0.77577 1.00000
O6 O 0.64114 0.00793 0.59209 1.00000
O7 O 0.92670 0.29705 0.73674 1.00000
O8 O 0.58525 0.41940 0.78139 1.00000
O9 O 0.21698 0.58367 0.77342 1.00000
O10 O 0.98357 0.24458 0.41476 1.00000
O11 O 0.95429 0.07793 0.27137 1.00000
O12 O 0.24508 0.35179 0.40131 1.00000
O13 O 0.76046 0.63858 0.59172 1.00000
O14 O 0.04506 0.92702 0.73093 1.00000
O15 O 0.01039 0.76485 0.58738 1.00000
O16 O 0.78286 0.41699 0.22505 1.00000
O17 O 0.42085 0.56648 0.22895 1.00000
O18 O 0.07806 0.69562 0.27783 1.00000
O19 O 0.35610 0.97430 0.41082 1.00000
O20 O 0.58048 0.78709 0.21131 1.00000
O21 O 0.70539 0.50116 0.92374 1.00000
O22 O 0.69568 0.94930 0.27660 1.00000
O23 O 0.87504 0.70556 0.92070 1.00000
O24 O 0.48872 0.87190 0.92447 1.00000
