Sr(MnAs)3
Alexandria ALEXAlex-ID: agm005909784 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_284_spg148
Sr(MnAs)2 MnAs
2023-08-06 08:07:07.035790
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005909784).
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 agm005909784
data_agm005909784
_cell_length_a 6.85072
_cell_length_b 6.85071
_cell_length_c 8.44060
_cell_angle_alpha 66.05752
_cell_angle_beta 66.05753
_cell_angle_gamma 59.99997
_cell_volume 303.06645
_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
Sr1 Sr 0.66573 0.66573 0.00282 1.00000
Sr2 Sr 0.33427 0.33427 0.99718 1.00000
Mn1 Mn 0.21595 0.53194 0.39182 1.00000
Mn2 Mn 0.86029 0.21595 0.39182 1.00000
Mn3 Mn 0.53194 0.86029 0.39182 1.00000
Mn4 Mn 0.46806 0.13971 0.60818 1.00000
Mn5 Mn 0.13971 0.78405 0.60818 1.00000
Mn6 Mn 0.78405 0.46806 0.60818 1.00000
As1 As 0.41832 0.77793 0.71727 1.00000
As2 As 0.77793 0.08649 0.71727 1.00000
As3 As 0.08649 0.41832 0.71727 1.00000
As4 As 0.91351 0.58168 0.28273 1.00000
As5 As 0.22207 0.91351 0.28273 1.00000
As6 As 0.58168 0.22207 0.28273 1.00000
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