ZrMnCo5
Alexandria ALEXAlex-ID: agm005778243 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_91_spg62
ZrMnCo4 Co
2023-07-14 13:33:48.518959
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778243).
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 agm005778243
data_agm005778243
_cell_length_a 4.66770
_cell_length_b 7.74143
_cell_length_c 9.94625
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 359.40501
_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
Zr1 Zr 0.25000 0.24049 0.93948 1.00000
Zr2 Zr 0.75000 0.25951 0.43948 1.00000
Zr3 Zr 0.25000 0.74049 0.56052 1.00000
Zr4 Zr 0.75000 0.75951 0.06052 1.00000
Mn1 Mn 0.25000 0.86282 0.85793 1.00000
Mn2 Mn 0.75000 0.63718 0.35793 1.00000
Mn3 Mn 0.25000 0.36282 0.64207 1.00000
Mn4 Mn 0.75000 0.13718 0.14207 1.00000
Co1 Co 0.25000 0.59824 0.01993 1.00000
Co2 Co 0.75000 0.90176 0.51993 1.00000
Co3 Co 0.25000 0.09824 0.48007 1.00000
Co4 Co 0.75000 0.40176 0.98007 1.00000
Co5 Co 0.75000 0.31028 0.75338 1.00000
Co6 Co 0.25000 0.18972 0.25338 1.00000
Co7 Co 0.75000 0.81028 0.74662 1.00000
Co8 Co 0.25000 0.68972 0.24662 1.00000
Co9 Co 0.25000 0.94918 0.09114 1.00000
Co10 Co 0.75000 0.55082 0.59114 1.00000
Co11 Co 0.25000 0.44918 0.40886 1.00000
Co12 Co 0.75000 0.05082 0.90886 1.00000
Co13 Co 0.99178 0.43235 0.18844 1.00000
Co14 Co 0.00822 0.06765 0.68844 1.00000
Co15 Co 0.50822 0.93235 0.31156 1.00000
Co16 Co 0.49178 0.56765 0.81156 1.00000
Co17 Co 0.00822 0.56765 0.81156 1.00000
Co18 Co 0.99178 0.93235 0.31156 1.00000
Co19 Co 0.49178 0.06765 0.68844 1.00000
Co20 Co 0.50822 0.43235 0.18844 1.00000
