ZrCoC2
Alexandria ALEXAlex-ID: agm002201843 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_157_spg9
C Co ZrC
2018-07-01 11:05:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002201843).
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 agm002201843
data_agm002201843
_cell_length_a 3.49490
_cell_length_b 3.49492
_cell_length_c 7.33987
_cell_angle_alpha 83.08363
_cell_angle_beta 83.08352
_cell_angle_gamma 90.00734
_cell_volume 88.34230
_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
C1 C 0.55211 0.41590 0.56779 1.00000
C2 C 0.41590 0.55211 0.06780 1.00000
C3 C 0.51359 0.13809 0.72435 1.00000
C4 C 0.13809 0.51359 0.22435 1.00000
Co1 Co 0.62449 0.48817 0.30815 1.00000
Co2 Co 0.48817 0.62449 0.80815 1.00000
Zr1 Zr 0.93452 0.06613 0.00281 1.00000
Zr2 Zr 0.06613 0.93452 0.50281 1.00000
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