La3Dy2ThSb6
Alexandria ALEXAlex-ID: agm040998802 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_201_spg12
Dy5ThSb6 La5ThSb6
2024-11-13 14:14:28.848184
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040998802).
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 agm040998802
data_agm040998802
_cell_length_a 10.10285
_cell_length_b 10.10285
_cell_length_c 9.05751
_cell_angle_alpha 77.32713
_cell_angle_beta 77.32713
_cell_angle_gamma 25.90801
_cell_volume 393.56180
_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
La1 La 0.50000 0.50000 0.00000 1.00000
La2 La 0.83412 0.83412 0.83327 1.00000
La3 La 0.16588 0.16588 0.16673 1.00000
Dy1 Dy 0.16908 0.16908 0.66581 1.00000
Dy2 Dy 0.83092 0.83092 0.33419 1.00000
Th1 Th 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.33283 0.33283 0.57429 1.00000
Sb2 Sb 0.33269 0.33269 0.09331 1.00000
Sb3 Sb 0.66717 0.66717 0.42571 1.00000
Sb4 Sb 0.99565 0.99565 0.25702 1.00000
Sb5 Sb 0.00435 0.00435 0.74298 1.00000
Sb6 Sb 0.66731 0.66731 0.90669 1.00000
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