Ca2La12Dy5
Alexandria ALEXAlex-ID: agm005685997 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_218_spg12
La5Dy LaDy4 Ca
2023-06-23 03:49:24.609927
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005685997).
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 agm005685997
data_agm005685997
_cell_length_a 11.87852
_cell_length_b 8.99027
_cell_length_c 9.71192
_cell_angle_alpha 69.24138
_cell_angle_beta 90.00000
_cell_angle_gamma 131.34806
_cell_volume 686.35588
_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 0.71935 0.00000 0.00000 1.00000
Ca2 Ca 0.28065 0.00000 0.00000 1.00000
La1 La 0.10578 0.21155 0.07388 1.00000
La2 La 0.05537 0.57834 0.81730 1.00000
La3 La 0.52297 0.57834 0.81730 1.00000
La4 La 0.14947 0.79277 0.41494 1.00000
La5 La 0.64330 0.79277 0.41494 1.00000
La6 La 0.44438 0.88876 0.77192 1.00000
La7 La 0.55562 0.11124 0.22808 1.00000
La8 La 0.85053 0.20723 0.58506 1.00000
La9 La 0.35670 0.20723 0.58506 1.00000
La10 La 0.94463 0.42166 0.18270 1.00000
La11 La 0.47703 0.42166 0.18270 1.00000
La12 La 0.89422 0.78845 0.92612 1.00000
Dy1 Dy 0.22400 0.44801 0.63601 1.00000
Dy2 Dy 0.29244 0.58488 0.24579 1.00000
Dy3 Dy 0.00000 0.00000 0.50000 1.00000
Dy4 Dy 0.70756 0.41512 0.75421 1.00000
Dy5 Dy 0.77600 0.55199 0.36399 1.00000
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