CaCeAgTe3
Alexandria ALEXAlex-ID: agm002261237 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3_0_spg63
CaTe CeTe2 Ag
2019-01-11 23:44:56
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002261237).
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 agm002261237
data_agm002261237
_cell_length_a 4.40077
_cell_length_b 7.63206
_cell_length_c 11.68917
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 106.75794
_cell_volume 375.93061
_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 0.23458 0.46914 0.25000 1.00000
Ca2 Ca 0.76542 0.53086 0.75000 1.00000
Te1 Te 0.35182 0.70363 0.93098 1.00000
Te2 Te 0.90011 0.80022 0.25000 1.00000
Te3 Te 0.64818 0.29637 0.43098 1.00000
Te4 Te 0.64818 0.29637 0.06902 1.00000
Te5 Te 0.35182 0.70363 0.56902 1.00000
Te6 Te 0.09989 0.19978 0.75000 1.00000
Ag1 Ag 0.52250 0.04496 0.25000 1.00000
Ag2 Ag 0.47750 0.95504 0.75000 1.00000
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.00000 0.00000 0.50000 1.00000
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