Sm3Ho4
Alexandria ALEXAlex-ID: agm012129248 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_1_spg2
Sm2Ho7 Sm
2025-05-08 16:41:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012129248).
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 agm012129248
data_agm012129248
_cell_length_a 7.98839
_cell_length_b 7.98839
_cell_length_c 8.74520
_cell_angle_alpha 68.50940
_cell_angle_beta 111.49060
_cell_angle_gamma 154.27577
_cell_volume 224.47162
_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 0.00000 0.00000 0.00000 1.00000
Sm2 Sm 0.57186 0.42814 0.71353 1.00000
Sm3 Sm 0.42814 0.57186 0.28647 1.00000
Ho1 Ho 0.28565 0.71435 0.85681 1.00000
Ho2 Ho 0.71435 0.28565 0.14319 1.00000
Ho3 Ho 0.14472 0.85528 0.42918 1.00000
Ho4 Ho 0.85528 0.14472 0.57082 1.00000
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