CaCe2(ThSb2)3
Alexandria ALEXAlex-ID: agm034672700 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_376_spg12
Ce2ThSb3 Ca3Th5Sb8 CaTh3Sb4
2024-08-25 00:04:35.130028
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034672700).
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 agm034672700
data_agm034672700
_cell_length_a 10.09197
_cell_length_b 10.09197
_cell_length_c 9.03911
_cell_angle_alpha 77.08149
_cell_angle_beta 77.08149
_cell_angle_gamma 25.81180
_cell_volume 390.16451
_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 0.83391 0.83391 0.33204 1.00000
Ce2 Ce 0.16609 0.16609 0.66796 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Th2 Th 0.83404 0.83404 0.83279 1.00000
Th3 Th 0.16596 0.16596 0.16721 1.00000
Sb1 Sb 0.33321 0.33321 0.08305 1.00000
Sb2 Sb 0.66686 0.66686 0.41756 1.00000
Sb3 Sb 0.66679 0.66679 0.91695 1.00000
Sb4 Sb 0.00005 0.00005 0.74907 1.00000
Sb5 Sb 0.99995 0.99995 0.25093 1.00000
Sb6 Sb 0.33314 0.33314 0.58244 1.00000
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