Er2InCl8
Alexandria ALEXAlex-ID: agm006006000 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1344_spg12
Er(InCl2)3 InCl3 ErCl3
2023-09-25 17:46:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006006000).
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 agm006006000
data_agm006006000
_cell_length_a 6.95834
_cell_length_b 6.89147
_cell_length_c 6.89147
_cell_angle_alpha 76.60818
_cell_angle_beta 79.93228
_cell_angle_gamma 79.93229
_cell_volume 313.40373
_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
Er1 Er 0.45134 0.31771 0.31771 1.00000
Er2 Er 0.54866 0.68229 0.68229 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Cl1 Cl 0.32374 0.66897 0.05004 1.00000
Cl2 Cl 0.67626 0.94996 0.33103 1.00000
Cl3 Cl 0.16518 0.19880 0.19880 1.00000
Cl4 Cl 0.83482 0.80120 0.80120 1.00000
Cl5 Cl 0.32374 0.05004 0.66897 1.00000
Cl6 Cl 0.67626 0.33103 0.94996 1.00000
Cl7 Cl 0.74129 0.43972 0.43972 1.00000
Cl8 Cl 0.25871 0.56028 0.56028 1.00000
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