Pr7(CCl5)2
Alexandria ALEXAlex-ID: agm007990000 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B7C10_6_spg12
Pr4CCl5 Pr4C2Cl5 PrCl3
2024-05-02 15:57:03.299669
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007990000).
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 agm007990000
data_agm007990000
_cell_length_a 10.63916
_cell_length_b 10.63916
_cell_length_c 13.53515
_cell_angle_alpha 80.50351
_cell_angle_beta 80.50351
_cell_angle_gamma 21.48415
_cell_volume 553.14234
_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 0.17793 0.17793 0.49097 1.00000
Pr2 Pr 0.82207 0.82207 0.50903 1.00000
Pr3 Pr 0.30574 0.30574 0.27714 1.00000
Pr4 Pr 0.69426 0.69426 0.72286 1.00000
Pr5 Pr 0.65622 0.65622 0.26282 1.00000
Pr6 Pr 0.34378 0.34378 0.73718 1.00000
Pr7 Pr 0.00000 0.00000 0.00000 1.00000
C1 C 0.74108 0.74108 0.37090 1.00000
C2 C 0.25892 0.25892 0.62910 1.00000
Cl1 Cl 0.55369 0.55369 0.11080 1.00000
Cl2 Cl 0.44631 0.44631 0.88920 1.00000
Cl3 Cl 0.21933 0.21933 0.12979 1.00000
Cl4 Cl 0.78067 0.78067 0.87021 1.00000
Cl5 Cl 0.88537 0.88537 0.13897 1.00000
Cl6 Cl 0.92539 0.92539 0.63570 1.00000
Cl7 Cl 0.07461 0.07461 0.36430 1.00000
Cl8 Cl 0.59435 0.59435 0.60795 1.00000
Cl9 Cl 0.40565 0.40565 0.39205 1.00000
Cl10 Cl 0.11463 0.11463 0.86103 1.00000
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