Dy3(PaC2)2
Alexandria ALEXAlex-ID: agm005689685 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_4_spg12
DyPa2C3 Dy2C
2023-06-26 19:40:08.782756
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005689685).
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 agm005689685
data_agm005689685
_cell_length_a 3.60623
_cell_length_b 6.25291
_cell_length_c 7.96405
_cell_angle_alpha 74.97065
_cell_angle_beta 76.91438
_cell_angle_gamma 73.23996
_cell_volume 163.82666
_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 0.00000 0.00000 0.00000 1.00000
Dy2 Dy 0.20362 0.40314 0.18962 1.00000
Dy3 Dy 0.79638 0.59686 0.81038 1.00000
Pa1 Pa 0.59949 0.19073 0.61030 1.00000
Pa2 Pa 0.40051 0.80927 0.38970 1.00000
C1 C 0.80053 0.07292 0.32601 1.00000
C2 C 0.19947 0.92708 0.67399 1.00000
C3 C 0.40831 0.30019 0.88318 1.00000
C4 C 0.59169 0.69981 0.11682 1.00000
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