Sm2Ho2Er3
Alexandria ALEXAlex-ID: agm010022977 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_84_spg12
Sm3(Ho2Er)2 HoEr5 Sm3(HoEr2)2
2024-07-06 01:31:15.897619
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010022977).
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 agm010022977
data_agm010022977
_cell_length_a 3.52623
_cell_length_b 8.55626
_cell_length_c 8.71331
_cell_angle_alpha 114.10411
_cell_angle_beta 101.64445
_cell_angle_gamma 101.93538
_cell_volume 222.39054
_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 0.36018 0.29083 0.43098 1.00000
Sm2 Sm 0.63982 0.70917 0.56902 1.00000
Ho1 Ho 0.80129 0.44592 0.15662 1.00000
Ho2 Ho 0.19871 0.55408 0.84338 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Er2 Er 0.41193 0.11519 0.70711 1.00000
Er3 Er 0.58807 0.88481 0.29289 1.00000
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