Ce3Cu7Si4
Alexandria ALEXAlex-ID: agm005696047 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_31_spg12
Ce3(CuSi)4 Cu
2023-06-29 18:00:32.824155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696047).
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 agm005696047
data_agm005696047
_cell_length_a 4.19147
_cell_length_b 7.97090
_cell_length_c 7.90923
_cell_angle_alpha 65.99230
_cell_angle_beta 74.63463
_cell_angle_gamma 74.75641
_cell_volume 229.12048
_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
Ce1 Ce 0.29826 0.20602 0.19745 1.00000
Ce2 Ce 0.70174 0.79398 0.80255 1.00000
Ce3 Ce 0.00000 0.50000 0.50000 1.00000
Cu1 Cu 0.33534 0.81194 0.51738 1.00000
Cu2 Cu 0.49833 0.19421 0.80914 1.00000
Cu3 Cu 0.85752 0.36945 0.91551 1.00000
Cu4 Cu 0.66466 0.18806 0.48262 1.00000
Cu5 Cu 0.14248 0.63055 0.08449 1.00000
Cu6 Cu 0.00000 0.00000 0.00000 1.00000
Cu7 Cu 0.50167 0.80579 0.19086 1.00000
Si1 Si 0.65428 0.47838 0.21305 1.00000
Si2 Si 0.34572 0.52162 0.78695 1.00000
Si3 Si 0.86886 0.91803 0.34426 1.00000
Si4 Si 0.13114 0.08197 0.65574 1.00000
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