Ce3Sb2P
Alexandria ALEXAlex-ID: agm005759792 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_103_spg139
CeSb CeP
2023-08-24 09:01:14.231202
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759792).
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 agm005759792
data_agm005759792
_cell_length_a 4.38038
_cell_length_b 4.38038
_cell_length_c 9.74164
_cell_angle_alpha 102.99255
_cell_angle_beta 102.99119
_cell_angle_gamma 90.00241
_cell_volume 177.22089
_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 0.93409 0.93588 0.87397 1.00000
Ce2 Ce 0.27783 0.27915 0.56105 1.00000
Ce3 Ce 0.59074 0.59204 0.18687 1.00000
Sb1 Sb 0.10448 0.10574 0.21431 1.00000
Sb2 Sb 0.76412 0.76540 0.53361 1.00000
P1 P 0.43409 0.43591 0.87396 1.00000
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