Pr3(CBr)2
Alexandria ALEXAlex-ID: agm003304511 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_29_spg12
Pr4C2Br5 Pr2CBr Pr2C2Br
2022-01-23 05:36:00.825174
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003304511).
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 agm003304511
data_agm003304511
_cell_length_a 3.76226
_cell_length_b 6.47507
_cell_length_c 7.83281
_cell_angle_alpha 99.44382
_cell_angle_beta 92.22282
_cell_angle_gamma 102.68278
_cell_volume 183.07960
_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
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Pr2 Pr 0.79226 0.55491 0.20891 1.00000
Pr3 Pr 0.20774 0.44509 0.79109 1.00000
C1 C 0.64181 0.27785 0.94337 1.00000
C2 C 0.35819 0.72215 0.05663 1.00000
Br1 Br 0.83122 0.75917 0.62361 1.00000
Br2 Br 0.16878 0.24083 0.37639 1.00000
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