CaCe3(SmBi3)2
Alexandria ALEXAlex-ID: agm040497749 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_429_spg12
CaCe2Bi3 CeSm2Bi3
2025-02-06 23:36:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040497749).
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 agm040497749
data_agm040497749
_cell_length_a 10.24048
_cell_length_b 10.24048
_cell_length_c 9.16456
_cell_angle_alpha 77.51324
_cell_angle_beta 102.48676
_cell_angle_gamma 154.06765
_cell_volume 409.80769
_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 0.50000 0.50000 0.00000 1.00000
Ce1 Ce 0.50000 0.50000 0.50000 1.00000
Ce2 Ce 0.16534 0.83466 0.83448 1.00000
Ce3 Ce 0.83466 0.16534 0.16552 1.00000
Sm1 Sm 0.16646 0.83354 0.33290 1.00000
Sm2 Sm 0.83354 0.16646 0.66710 1.00000
Bi1 Bi 0.66818 0.33182 0.08493 1.00000
Bi2 Bi 0.33326 0.66674 0.41631 1.00000
Bi3 Bi 0.33182 0.66818 0.91507 1.00000
Bi4 Bi 0.99974 0.00026 0.74551 1.00000
Bi5 Bi 0.00026 0.99974 0.25449 1.00000
Bi6 Bi 0.66674 0.33326 0.58369 1.00000
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