Cd2C3
Alexandria ALEXAlex-ID: agm005508262 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_504_spg43
C Cd
2023-03-19 17:35:32.094226
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508262).
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 agm005508262
data_agm005508262
_cell_length_a 8.41973
_cell_length_b 7.48188
_cell_length_c 5.88642
_cell_angle_alpha 77.05189
_cell_angle_beta 59.99919
_cell_angle_gamma 42.94892
_cell_volume 212.38043
_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
Cd1 Cd 0.95754 0.13253 0.48334 1.00000
Cd2 Cd 0.42659 0.48334 0.13253 1.00000
Cd3 Cd 0.76666 0.82341 0.29246 1.00000
Cd4 Cd 0.11747 0.29246 0.82341 1.00000
C1 C 0.03895 0.37612 0.22177 1.00000
C2 C 0.36316 0.22177 0.37612 1.00000
C3 C 0.02823 0.88684 0.21105 1.00000
C4 C 0.87388 0.21105 0.88684 1.00000
C5 C 0.21376 0.28624 0.28624 1.00000
C6 C 0.96376 0.03624 0.03624 1.00000
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