Dy8PaC6
Alexandria ALEXAlex-ID: agm072498045 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_721_spg1
DyPaC2 Dy4C5 Dy2C
2024-10-05 13:09:13.530341
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072498045).
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 agm072498045
data_agm072498045
_cell_length_a 6.24498
_cell_length_b 7.01849
_cell_length_c 7.78084
_cell_angle_alpha 81.56363
_cell_angle_beta 77.71405
_cell_angle_gamma 76.83478
_cell_volume 322.73328
_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
Dy1 Dy 0.07338 0.57367 0.99283 1.00000
Dy2 Dy 0.47859 0.17524 0.17630 1.00000
Dy3 Dy 0.25506 0.35370 0.58298 1.00000
Dy4 Dy 0.04990 0.08375 0.96152 1.00000
Dy5 Dy 0.51097 0.65783 0.19395 1.00000
Dy6 Dy 0.64370 0.96995 0.79507 1.00000
Dy7 Dy 0.88405 0.29687 0.35947 1.00000
Dy8 Dy 0.94538 0.79893 0.37414 1.00000
Pa1 Pa 0.66197 0.45310 0.79041 1.00000
C1 C 0.78205 0.87574 0.09448 1.00000
C2 C 0.76816 0.38158 0.06207 1.00000
C3 C 0.17749 0.48659 0.29313 1.00000
C4 C 0.91806 0.18767 0.67923 1.00000
C5 C 0.38859 0.27943 0.87236 1.00000
C6 C 0.99042 0.02464 0.58500 1.00000
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