PrIBr
Alexandria ALEXAlex-ID: agm077629616 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_611_spg166
PrI2 PrBr2
2025-04-13 21:26:24
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077629616).
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 agm077629616
data_agm077629616
_cell_length_a 4.16287
_cell_length_b 4.16339
_cell_length_c 16.89841
_cell_angle_alpha 90.58784
_cell_angle_beta 96.66673
_cell_angle_gamma 120.02616
_cell_volume 251.06068
_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 0.21032 0.05857 0.75924 1.00000
Pr2 Pr 0.78968 0.94143 0.24076 1.00000
I1 I 0.79332 0.34445 0.63146 1.00000
I2 I 0.20668 0.65555 0.36854 1.00000
Br1 Br 0.95070 0.43322 0.87116 1.00000
Br2 Br 0.04930 0.56678 0.12884 1.00000
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