Ca5DyIn6
Alexandria ALEXAlex-ID: agm006115477 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
Ca2DyIn3 CaIn
2023-08-19 19:08:33.853590
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006115477).
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 agm006115477
data_agm006115477
_cell_length_a 5.39188
_cell_length_b 7.77271
_cell_length_c 9.38417
_cell_angle_alpha 65.53557
_cell_angle_beta 72.87973
_cell_angle_gamma 90.00002
_cell_volume 338.73775
_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
Ca1 Ca 0.67194 0.17118 0.65762 1.00000
Ca2 Ca 0.33329 0.33418 0.33161 1.00000
Ca3 Ca 0.00000 0.50000 0.00000 1.00000
Ca4 Ca 0.66671 0.66582 0.66839 1.00000
Ca5 Ca 0.32806 0.82882 0.34238 1.00000
In1 In 0.83498 0.59074 0.32733 1.00000
In2 In 0.83522 0.08190 0.32726 1.00000
In3 In 0.50001 0.75740 0.99999 1.00000
In4 In 0.49999 0.24260 0.00001 1.00000
In5 In 0.16478 0.91810 0.67274 1.00000
In6 In 0.16502 0.40926 0.67267 1.00000
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
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