Nd3Sm5Ho4
Alexandria ALEXAlex-ID: agm011908713 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_159_spg2
Nd3Sm5 Nd3SmHo4 NdSm3Ho4
2025-03-12 01:44:34
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011908713).
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 agm011908713
data_agm011908713
_cell_length_a 6.29263
_cell_length_b 7.27222
_cell_length_c 9.67237
_cell_angle_alpha 112.05083
_cell_angle_beta 102.50983
_cell_angle_gamma 89.96486
_cell_volume 398.90824
_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
Nd1 Nd 0.27777 0.66863 0.83548 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Nd3 Nd 0.72223 0.33137 0.16452 1.00000
Sm1 Sm 0.77848 0.41660 0.83414 1.00000
Sm2 Sm 0.50000 0.50000 0.50000 1.00000
Sm3 Sm 0.99881 0.75295 0.50179 1.00000
Sm4 Sm 0.00119 0.24705 0.49821 1.00000
Sm5 Sm 0.22152 0.58340 0.16586 1.00000
Ho1 Ho 0.72238 0.83532 0.16599 1.00000
Ho2 Ho 0.77908 0.91729 0.83479 1.00000
Ho3 Ho 0.22092 0.08271 0.16521 1.00000
Ho4 Ho 0.27762 0.16468 0.83401 1.00000
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