Sm2YZr4Mn
Alexandria ALEXAlex-ID: agm013003159 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_1328_spg1
Sm2Y Zr ZrMn2
2024-07-10 22:15:10.940977
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013003159).
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 agm013003159
data_agm013003159
_cell_length_a 6.48524
_cell_length_b 6.48524
_cell_length_c 10.68511
_cell_angle_alpha 83.20557
_cell_angle_beta 83.20557
_cell_angle_gamma 62.76536
_cell_volume 395.72142
_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
Sm1 Sm 0.50000 0.50000 0.50000 1.00000
Sm2 Sm 0.00000 0.00000 0.00000 1.00000
Sm3 Sm 0.50000 0.00000 0.00000 1.00000
Sm4 Sm 0.00000 0.50000 0.00000 1.00000
Y1 Y 0.50000 0.50000 0.00000 1.00000
Y2 Y 0.00000 0.00000 0.50000 1.00000
Zr1 Zr 0.79207 0.29734 0.24834 1.00000
Zr2 Zr 0.27916 0.27916 0.29715 1.00000
Zr3 Zr 0.72084 0.72084 0.70285 1.00000
Zr4 Zr 0.20793 0.70266 0.75166 1.00000
Zr5 Zr 0.78380 0.78380 0.29825 1.00000
Zr6 Zr 0.70266 0.20793 0.75166 1.00000
Zr7 Zr 0.29734 0.79207 0.24834 1.00000
Zr8 Zr 0.21620 0.21620 0.70175 1.00000
Mn1 Mn 0.50000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.50000 0.50000 1.00000
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