P6Rh(WO8)3
Alexandria ALEXAlex-ID: agm021009644 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
P6Rh(WO8)3
2024-12-03 22:48:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021009644).
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 agm021009644
data_agm021009644
_cell_length_a 8.91815
_cell_length_b 8.91815
_cell_length_c 8.91815
_cell_angle_alpha 58.33423
_cell_angle_beta 58.33423
_cell_angle_gamma 58.33423
_cell_volume 482.41555
_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
P1 P 0.74714 0.47277 0.03530 1.00000
P2 P 0.03530 0.74714 0.47277 1.00000
P3 P 0.47277 0.03530 0.74714 1.00000
P4 P 0.54200 0.96251 0.24330 1.00000
P5 P 0.96251 0.24330 0.54200 1.00000
P6 P 0.24330 0.54200 0.96251 1.00000
Rh1 Rh 0.85501 0.85501 0.85501 1.00000
W1 W 0.14454 0.14454 0.14454 1.00000
W2 W 0.35662 0.35662 0.35662 1.00000
W3 W 0.64148 0.64148 0.64148 1.00000
O1 O 0.30280 0.50043 0.11986 1.00000
O2 O 0.50043 0.11986 0.30280 1.00000
O3 O 0.93420 0.30555 0.04355 1.00000
O4 O 0.11986 0.30280 0.50043 1.00000
O5 O 0.59257 0.41065 0.22131 1.00000
O6 O 0.73567 0.65363 0.02417 1.00000
O7 O 0.04355 0.93420 0.30555 1.00000
O8 O 0.22131 0.59257 0.41065 1.00000
O9 O 0.41065 0.22131 0.59257 1.00000
O10 O 0.35851 0.98561 0.23858 1.00000
O11 O 0.70006 0.97589 0.05735 1.00000
O12 O 0.98561 0.23858 0.35851 1.00000
O13 O 0.02417 0.73567 0.65363 1.00000
O14 O 0.30555 0.04355 0.93420 1.00000
O15 O 0.65363 0.02417 0.73567 1.00000
O16 O 0.58391 0.77554 0.40645 1.00000
O17 O 0.77554 0.40645 0.58391 1.00000
O18 O 0.97589 0.05735 0.70006 1.00000
O19 O 0.23858 0.35851 0.98561 1.00000
O20 O 0.40645 0.58391 0.77554 1.00000
O21 O 0.87163 0.71091 0.49289 1.00000
O22 O 0.05735 0.70006 0.97589 1.00000
O23 O 0.49289 0.87163 0.71091 1.00000
O24 O 0.71091 0.49289 0.87163 1.00000
