CaAg(WO4)2
Alexandria ALEXAlex-ID: agm002175809 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_14_spg1
AgO CaWO4 WO3
2018-06-16 15:48:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002175809).
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
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# CIF generated by HEAS from Alexandria entry agm002175809
data_agm002175809
_cell_length_a 5.10576
_cell_length_b 6.10242
_cell_length_c 6.28185
_cell_angle_alpha 66.39439
_cell_angle_beta 69.06071
_cell_angle_gamma 88.40779
_cell_volume 165.97711
_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
O1 O 0.68074 0.67791 0.19098 1.00000
O2 O 0.73608 0.46347 0.66899 1.00000
O3 O 0.62241 0.21973 0.20950 1.00000
O4 O 0.83417 0.03863 0.58755 1.00000
O5 O 0.21396 0.98309 0.13158 1.00000
O6 O 0.26930 0.76838 0.60958 1.00000
O7 O 0.32770 0.22654 0.59123 1.00000
O8 O 0.11587 0.40776 0.21318 1.00000
Ca1 Ca 0.47486 0.72334 0.90034 1.00000
Ag1 Ag 0.97500 0.22326 0.90030 1.00000
W1 W 0.72341 0.39517 0.41134 1.00000
W2 W 0.22660 0.05120 0.38934 1.00000
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