Ce3P2Br
Alexandria ALEXAlex-ID: agm005802438 · Space group: P6_3/mmc (#194)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_131_spg194
Ce6P5Br Ce2PBr2 Ce
2023-08-24 06:26:17.148012
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802438).
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 agm005802438
data_agm005802438
_cell_length_a 4.10190
_cell_length_b 4.10190
_cell_length_c 21.19948
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 308.90647
_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 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.33333 0.66667 0.15058 1.00000
Ce3 Ce 0.33333 0.66667 0.34942 1.00000
Ce4 Ce 0.00000 0.00000 0.50000 1.00000
Ce5 Ce 0.66667 0.33333 0.65058 1.00000
Ce6 Ce 0.66667 0.33333 0.84942 1.00000
P1 P 0.33333 0.66667 0.92104 1.00000
P2 P 0.66667 0.33333 0.07896 1.00000
P3 P 0.66667 0.33333 0.42104 1.00000
P4 P 0.33333 0.66667 0.57896 1.00000
Br1 Br 0.00000 0.00000 0.25000 1.00000
Br2 Br 0.00000 0.00000 0.75000 1.00000
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