ZrMnZn4
Alexandria ALEXAlex-ID: agm002222751 · Space group: F-43m (#216)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_12_spg216
Zr5Zn39 ZrZn3 Mn
2018-06-28 16:25:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002222751).
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 agm002222751
data_agm002222751
_cell_length_a 5.04446
_cell_length_b 5.04446
_cell_length_c 5.04446
_cell_angle_alpha 59.99773
_cell_angle_beta 59.99771
_cell_angle_gamma 59.99769
_cell_volume 90.76249
_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
Zn1 Zn 0.12705 0.62432 0.62432 1.00000
Zn2 Zn 0.62432 0.12705 0.62432 1.00000
Zn3 Zn 0.62432 0.62432 0.62432 1.00000
Zn4 Zn 0.62432 0.62432 0.12705 1.00000
Mn1 Mn 0.25000 0.25000 0.25000 1.00000
Zr1 Zr 1.00000 0.99999 1.00000 1.00000
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