Ca(DyGa)2
Alexandria ALEXAlex-ID: agm005969905 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_3_spg127
DyGa Ca
2023-08-03 11:05:41.983366
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005969905).
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
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# CIF generated by HEAS from Alexandria entry agm005969905
data_agm005969905
_cell_length_a 4.00831
_cell_length_b 8.03765
_cell_length_c 8.03765
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 258.95221
_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 0.00000 0.00000 0.00000 1.00000
Ca2 Ca 0.00000 0.50000 0.50000 1.00000
Dy1 Dy 0.50000 0.17616 0.67616 1.00000
Dy2 Dy 0.50000 0.67616 0.82384 1.00000
Dy3 Dy 0.50000 0.82384 0.32384 1.00000
Dy4 Dy 0.50000 0.32384 0.17616 1.00000
Ga1 Ga 0.00000 0.38139 0.88139 1.00000
Ga2 Ga 0.00000 0.88139 0.61861 1.00000
Ga3 Ga 0.00000 0.61861 0.11861 1.00000
Ga4 Ga 0.00000 0.11861 0.38139 1.00000
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