Ag5C3
Alexandria ALEXAlex-ID: agm005519795 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_0_spg140
C Ag
2023-08-04 08:58:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005519795).
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 agm005519795
data_agm005519795
_cell_length_a 8.84204
_cell_length_b 6.87891
_cell_length_c 6.87793
_cell_angle_alpha 79.99310
_cell_angle_beta 49.99654
_cell_angle_gamma 50.00336
_cell_volume 224.13217
_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
C1 C 0.25002 0.74958 0.74993 1.00000
C2 C 0.75007 0.24952 0.24998 1.00000
C3 C 0.33332 0.83075 0.16668 1.00000
C4 C 0.66864 0.16647 0.83136 1.00000
C5 C 0.16896 0.33064 0.66656 1.00000
C6 C 0.83342 0.66616 0.33106 1.00000
Ag1 Ag 0.74950 0.75001 0.75046 1.00000
Ag2 Ag 0.24961 0.25005 0.25042 1.00000
Ag3 Ag 0.78411 0.93415 0.06610 1.00000
Ag4 Ag 0.21509 0.06584 0.93470 1.00000
Ag5 Ag 0.71509 0.43429 0.56623 1.00000
Ag6 Ag 0.28404 0.56575 0.43463 1.00000
Ag7 Ag 0.56528 0.71565 0.28492 1.00000
Ag8 Ag 0.43392 0.28434 0.71589 1.00000
Ag9 Ag 0.06539 0.78439 0.21594 1.00000
Ag10 Ag 0.93375 0.21564 0.78492 1.00000
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