CsPWO6
Alexandria ALEXAlex-ID: agm019461920 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_46_spg70
Cs2P2WO9 WO3
2024-10-31 16:53:37.315468
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019461920).
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 agm019461920
data_agm019461920
_cell_length_a 10.43063
_cell_length_b 9.87812
_cell_length_c 8.59332
_cell_angle_alpha 68.35380
_cell_angle_beta 61.67192
_cell_angle_gamma 49.97429
_cell_volume 594.14449
_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
Cs1 Cs 0.68340 0.31660 0.31660 1.00000
Cs2 Cs 0.31660 0.68340 0.68340 1.00000
Cs3 Cs 0.56660 0.93340 0.93340 1.00000
Cs4 Cs 0.93340 0.56660 0.56660 1.00000
P1 P 0.87030 0.87030 0.12970 1.00000
P2 P 0.12970 0.12970 0.87030 1.00000
P3 P 0.37970 0.37970 0.12030 1.00000
P4 P 0.12030 0.12030 0.37970 1.00000
W1 W 0.78516 0.21484 0.78516 1.00000
W2 W 0.21484 0.78516 0.21484 1.00000
W3 W 0.03516 0.46484 0.03516 1.00000
W4 W 0.46484 0.03516 0.46484 1.00000
O1 O 0.89435 0.95018 0.93521 1.00000
O2 O 0.22025 0.93521 0.95018 1.00000
O3 O 0.93521 0.22025 0.89435 1.00000
O4 O 0.95018 0.89435 0.22025 1.00000
O5 O 0.35565 0.29982 0.31479 1.00000
O6 O 0.02975 0.31479 0.29982 1.00000
O7 O 0.31479 0.02975 0.35565 1.00000
O8 O 0.29982 0.35565 0.02975 1.00000
O9 O 0.01923 0.10652 0.58339 1.00000
O10 O 0.29085 0.58339 0.10652 1.00000
O11 O 0.58339 0.29085 0.01923 1.00000
O12 O 0.10652 0.01923 0.29085 1.00000
O13 O 0.08321 0.55784 0.81403 1.00000
O14 O 0.54493 0.81403 0.55784 1.00000
O15 O 0.81403 0.54493 0.08321 1.00000
O16 O 0.55784 0.08321 0.54493 1.00000
O17 O 0.16679 0.69216 0.43597 1.00000
O18 O 0.70507 0.43597 0.69216 1.00000
O19 O 0.23077 0.14348 0.66661 1.00000
O20 O 0.69216 0.16679 0.70507 1.00000
O21 O 0.14348 0.23077 0.95915 1.00000
O22 O 0.66661 0.95915 0.23077 1.00000
O23 O 0.95915 0.66661 0.14348 1.00000
O24 O 0.43597 0.70507 0.16679 1.00000
