CaZn11Co
Alexandria ALEXAlex-ID: agm005702345 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC11_5_spg12
Ca2Zn17 Ca(Zn3Co)3 Zn11Co2
2023-06-29 14:18:24.164898
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005702345).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005702345
data_agm005702345
_cell_length_a 5.02096
_cell_length_b 6.82199
_cell_length_c 6.82800
_cell_angle_alpha 82.31332
_cell_angle_beta 68.42772
_cell_angle_gamma 68.66694
_cell_volume 202.59428
_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
Ca1 Ca 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.29265 0.22275 0.21444 1.00000
Zn2 Zn 0.70735 0.77725 0.78556 1.00000
Zn3 Zn 0.49290 0.77725 0.21444 1.00000
Zn4 Zn 0.50710 0.22275 0.78556 1.00000
Zn5 Zn 0.36904 0.63833 0.65873 1.00000
Zn6 Zn 0.63096 0.36168 0.34127 1.00000
Zn7 Zn 0.97223 0.36168 0.65873 1.00000
Zn8 Zn 0.02777 0.63832 0.34127 1.00000
Zn9 Zn 0.00000 0.50000 0.00000 1.00000
Zn10 Zn 0.50000 0.00000 0.50000 1.00000
Zn11 Zn 0.00000 0.00000 0.50000 1.00000
Co1 Co 0.50000 0.50000 0.00000 1.00000
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