Ce2PmI6
Alexandria ALEXAlex-ID: agm005758260 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_990_spg12
PmI2 CeI2
2023-07-07 11:46:51.948593
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758260).
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 agm005758260
data_agm005758260
_cell_length_a 4.23048
_cell_length_b 9.00053
_cell_length_c 11.58831
_cell_angle_alpha 114.90379
_cell_angle_beta 89.99997
_cell_angle_gamma 103.59235
_cell_volume 386.54681
_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 0.67521 0.35043 0.84672 1.00000
Ce2 Ce 0.32478 0.64959 0.15328 1.00000
Pm1 Pm 1.00000 0.00000 0.50000 1.00000
I1 I 0.31995 0.63991 0.87408 1.00000
I2 I 0.68004 0.36010 0.12592 1.00000
I3 I 0.97748 0.95500 0.21474 1.00000
I4 I 0.64532 0.29064 0.54899 1.00000
I5 I 0.02250 0.04501 0.78526 1.00000
I6 I 0.35468 0.70936 0.45100 1.00000
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