Ca(CeAg3)2
Alexandria ALEXAlex-ID: agm017384527 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_172_spg148
CaAg2 CeAg2
2024-11-01 14:59:07.428210
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017384527).
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 agm017384527
data_agm017384527
_cell_length_a 5.92864
_cell_length_b 5.92864
_cell_length_c 5.92864
_cell_angle_alpha 90.61988
_cell_angle_beta 90.61988
_cell_angle_gamma 90.61988
_cell_volume 208.34758
_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 0.00000 0.00000 0.00000 1.00000
Ce1 Ce 0.34717 0.34717 0.34717 1.00000
Ce2 Ce 0.65283 0.65283 0.65283 1.00000
Ag1 Ag 0.50000 0.83574 0.16426 1.00000
Ag2 Ag 0.83574 0.16426 0.50000 1.00000
Ag3 Ag 0.50000 0.16426 0.83574 1.00000
Ag4 Ag 0.83574 0.50000 0.16426 1.00000
Ag5 Ag 0.16426 0.83574 0.50000 1.00000
Ag6 Ag 0.16426 0.50000 0.83574 1.00000
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