Mn4As5
Alexandria ALEXAlex-ID: agm005504479 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B5_4_spg139
MnAs2 MnAs
2023-03-19 13:49:37.538907
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504479).
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 agm005504479
data_agm005504479
_cell_length_a 6.01240
_cell_length_b 6.01240
_cell_length_c 6.01240
_cell_angle_alpha 97.36452
_cell_angle_beta 97.36452
_cell_angle_gamma 138.04217
_cell_volume 135.67914
_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
Mn1 Mn 0.35775 0.00000 0.35775 1.00000
Mn2 Mn 0.64225 0.00000 0.64225 1.00000
Mn3 Mn 0.00000 0.64225 0.64225 1.00000
Mn4 Mn 0.00000 0.35775 0.35775 1.00000
As1 As 0.00000 0.00000 0.00000 1.00000
As2 As 0.31840 0.68160 0.00000 1.00000
As3 As 0.68160 0.31840 0.00000 1.00000
As4 As 0.68160 0.68160 0.36320 1.00000
As5 As 0.31840 0.31840 0.63680 1.00000
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