Er2Mn(SiNi4)3
Alexandria ALEXAlex-ID: agm004496258 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_96_spg166
ErSiNi4 SiNi3 Mn6Si7Ni16 Mn3Ni5
2022-06-21 01:03:44.552131
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004496258).
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 agm004496258
data_agm004496258
_cell_length_a 8.91530
_cell_length_b 8.91530
_cell_length_c 8.91530
_cell_angle_alpha 39.46423
_cell_angle_beta 39.46423
_cell_angle_gamma 39.46423
_cell_volume 257.66971
_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
Er1 Er 0.64888 0.64888 0.64888 1.00000
Er2 Er 0.35112 0.35112 0.35112 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.50000 0.00000 0.00000 1.00000
Si2 Si 0.00000 0.50000 0.00000 1.00000
Si3 Si 0.00000 0.00000 0.50000 1.00000
Ni1 Ni 0.41063 0.41063 0.81283 1.00000
Ni2 Ni 0.92553 0.92553 0.36018 1.00000
Ni3 Ni 0.36018 0.92553 0.92553 1.00000
Ni4 Ni 0.81283 0.41063 0.41063 1.00000
Ni5 Ni 0.92553 0.36018 0.92553 1.00000
Ni6 Ni 0.41063 0.81283 0.41063 1.00000
Ni7 Ni 0.58937 0.58937 0.18717 1.00000
Ni8 Ni 0.07447 0.07447 0.63982 1.00000
Ni9 Ni 0.63982 0.07447 0.07447 1.00000
Ni10 Ni 0.18717 0.58937 0.58937 1.00000
Ni11 Ni 0.07447 0.63982 0.07447 1.00000
Ni12 Ni 0.58937 0.18717 0.58937 1.00000
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