Dy2I2Br
Alexandria ALEXAlex-ID: agm005877197 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_141_spg12
DyI3 Dy DyBr3
2023-08-03 11:12:20.180896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877197).
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 agm005877197
data_agm005877197
_cell_length_a 4.01691
_cell_length_b 8.73028
_cell_length_c 11.52726
_cell_angle_alpha 99.62430
_cell_angle_beta 100.03418
_cell_angle_gamma 90.00001
_cell_volume 392.28421
_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
Dy1 Dy 0.18631 0.91968 0.37262 1.00000
Dy2 Dy 0.81369 0.08032 0.62738 1.00000
Dy3 Dy 0.31241 0.70472 0.62481 1.00000
Dy4 Dy 0.68759 0.29528 0.37519 1.00000
I1 I 0.09087 0.16519 0.18174 1.00000
I2 I 0.90913 0.83481 0.81826 1.00000
I3 I 0.40921 0.22807 0.81842 1.00000
I4 I 0.59079 0.77193 0.18158 1.00000
Br1 Br 0.18975 0.55055 0.37949 1.00000
Br2 Br 0.81025 0.44945 0.62051 1.00000
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