Cs2P2WO9
Alexandria ALEXAlex-ID: agm019942889 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D9_15_spg2
Cs2P2WO9
2024-10-31 23:42:12.607523
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019942889).
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 agm019942889
data_agm019942889
_cell_length_a 7.51253
_cell_length_b 8.16222
_cell_length_c 8.84986
_cell_angle_alpha 102.18820
_cell_angle_beta 108.18671
_cell_angle_gamma 88.88818
_cell_volume 503.30214
_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 0.73909 0.07774 0.34707 1.00000
Cs2 Cs 0.17603 0.81974 0.11454 1.00000
Cs3 Cs 0.26091 0.92226 0.65293 1.00000
Cs4 Cs 0.82397 0.18026 0.88546 1.00000
P1 P 0.64405 0.67311 0.89835 1.00000
P2 P 0.35595 0.32689 0.10165 1.00000
P3 P 0.14678 0.33868 0.34116 1.00000
P4 P 0.85322 0.66132 0.65884 1.00000
W1 W 0.75970 0.58758 0.26353 1.00000
W2 W 0.24030 0.41242 0.73647 1.00000
O1 O 0.04805 0.26164 0.66608 1.00000
O2 O 0.78123 0.54398 0.48446 1.00000
O3 O 0.57044 0.72235 0.25537 1.00000
O4 O 0.42956 0.27765 0.74463 1.00000
O5 O 0.94523 0.38346 0.25268 1.00000
O6 O 0.43059 0.63195 0.83022 1.00000
O7 O 0.21877 0.45602 0.51554 1.00000
O8 O 0.27981 0.40912 0.25294 1.00000
O9 O 0.05477 0.61654 0.74732 1.00000
O10 O 0.69900 0.85589 0.96103 1.00000
O11 O 0.30100 0.14411 0.03897 1.00000
O12 O 0.16465 0.15542 0.33866 1.00000
O13 O 0.73930 0.56217 0.02452 1.00000
O14 O 0.72019 0.59088 0.74706 1.00000
O15 O 0.95195 0.73836 0.33392 1.00000
O16 O 0.56941 0.36805 0.16978 1.00000
O17 O 0.83535 0.84458 0.66134 1.00000
O18 O 0.26070 0.43783 0.97548 1.00000
