CaSi2(AgO)8
Alexandria ALEXAlex-ID: agm005228974 · Space group: P2 (#3)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8D8_14_spg3
Ag2O SiO2 CaSiO3 Ag
2023-05-08 01:14:40.121513
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228974).
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 agm005228974
data_agm005228974
_cell_length_a 5.99253
_cell_length_b 7.42569
_cell_length_c 7.13445
_cell_angle_alpha 81.15044
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 313.69436
_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
Ca1 Ca 0.61312 0.50000 0.50000 1.00000
Si1 Si 0.61799 0.00000 0.50000 1.00000
Si2 Si 0.32184 0.50000 0.00000 1.00000
Ag1 Ag 0.11135 0.83057 0.64946 1.00000
Ag2 Ag 0.73588 0.28391 0.10435 1.00000
Ag3 Ag 0.73588 0.71609 0.89565 1.00000
Ag4 Ag 0.87918 0.90402 0.17454 1.00000
Ag5 Ag 0.87918 0.09598 0.82546 1.00000
Ag6 Ag 0.35017 0.85082 0.15006 1.00000
Ag7 Ag 0.11135 0.16943 0.35054 1.00000
Ag8 Ag 0.35017 0.14918 0.84994 1.00000
O1 O 0.48319 0.50141 0.19378 1.00000
O2 O 0.76733 0.80947 0.48434 1.00000
O3 O 0.16144 0.31665 0.02222 1.00000
O4 O 0.45998 0.05667 0.31085 1.00000
O5 O 0.76733 0.19053 0.51566 1.00000
O6 O 0.48319 0.49859 0.80622 1.00000
O7 O 0.16144 0.68335 0.97778 1.00000
O8 O 0.45998 0.94333 0.68915 1.00000
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