Ce2Pr3NdSb6
Alexandria ALEXAlex-ID: agm045149441 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_1_spg12
CePr2Sb3 CeNd2Sb3
2025-01-01 05:02:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045149441).
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 agm045149441
data_agm045149441
_cell_length_a 7.85057
_cell_length_b 7.85057
_cell_length_c 7.85529
_cell_angle_alpha 80.41251
_cell_angle_beta 99.58749
_cell_angle_gamma 60.00951
_cell_volume 395.37069
_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 0.33321 0.33321 0.00000 1.00000
Ce2 Ce 0.66679 0.66679 0.00000 1.00000
Pr1 Pr 0.16609 0.16609 0.50000 1.00000
Pr2 Pr 0.83391 0.83391 0.50000 1.00000
Pr3 Pr 0.50000 0.50000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Sb1 Sb 0.41745 0.91817 0.24540 1.00000
Sb2 Sb 0.25374 0.74626 0.75432 1.00000
Sb3 Sb 0.58255 0.08183 0.75460 1.00000
Sb4 Sb 0.08183 0.58255 0.24540 1.00000
Sb5 Sb 0.74626 0.25374 0.24568 1.00000
Sb6 Sb 0.91817 0.41745 0.75460 1.00000
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