ScAg(WO4)2
Alexandria ALEXAlex-ID: agm002176002 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_184_spg1
Ag2O WO3 Sc2WO6
2018-06-17 03:31:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002176002).
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 agm002176002
data_agm002176002
_cell_length_a 5.08528
_cell_length_b 6.23112
_cell_length_c 6.41227
_cell_angle_alpha 59.77533
_cell_angle_beta 69.62125
_cell_angle_gamma 89.01455
_cell_volume 161.41046
_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
Sc1 Sc 0.41310 0.80272 0.92133 1.00000
O1 O 0.66575 0.66574 0.13589 1.00000
O2 O 0.73786 0.47964 0.60713 1.00000
O3 O 0.61797 0.20254 0.20862 1.00000
O4 O 0.82115 0.01564 0.60035 1.00000
O5 O 0.21801 0.93710 0.17967 1.00000
O6 O 0.26336 0.74470 0.67278 1.00000
O7 O 0.33755 0.16810 0.63389 1.00000
O8 O 0.14135 0.41647 0.20463 1.00000
Ag1 Ag 0.02433 0.32733 0.84535 1.00000
W1 W 0.72615 0.38023 0.39484 1.00000
W2 W 0.23353 0.03829 0.39943 1.00000
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