Dy4TePb3
Alexandria ALEXAlex-ID: agm006042017 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_1343_spg65
Dy2TePb DyPb
2023-10-20 03:49:46
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006042017).
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 agm006042017
data_agm006042017
_cell_length_a 4.15943
_cell_length_b 7.83128
_cell_length_c 7.83127
_cell_angle_alpha 73.69882
_cell_angle_beta 90.17872
_cell_angle_gamma 90.17873
_cell_volume 244.83641
_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
Pb1 Pb 0.49995 0.00012 0.49997 1.00000
Pb2 Pb 0.99996 0.00012 0.99997 1.00000
Pb3 Pb 0.99996 0.50012 0.49997 1.00000
Te1 Te 0.49996 0.50011 0.99997 1.00000
Dy1 Dy 0.99996 0.74760 0.75249 1.00000
Dy2 Dy 0.50026 0.74962 0.24947 1.00000
Dy3 Dy 0.99996 0.25264 0.24745 1.00000
Dy4 Dy 0.49965 0.25061 0.75047 1.00000
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