Nd5SmEr12
Alexandria ALEXAlex-ID: agm067909286 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C12_2_spg12
Nd2SmEr6 NdEr2
2024-12-05 12:04:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm067909286).
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 agm067909286
data_agm067909286
_cell_length_a 6.21613
_cell_length_b 6.21613
_cell_length_c 17.29865
_cell_angle_alpha 86.58714
_cell_angle_beta 93.41286
_cell_angle_gamma 59.97848
_cell_volume 574.62782
_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 0.50000 0.50000 0.50000 1.00000
Nd2 Nd 0.16678 0.16678 0.50000 1.00000
Nd3 Nd 0.83322 0.83322 0.50000 1.00000
Nd4 Nd 0.66665 0.66665 0.00000 1.00000
Nd5 Nd 0.33335 0.33335 0.00000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.11059 0.88941 0.33100 1.00000
Er2 Er 0.88941 0.11059 0.66900 1.00000
Er3 Er 0.38941 0.61059 0.16849 1.00000
Er4 Er 0.61059 0.38941 0.83151 1.00000
Er5 Er 0.05642 0.27656 0.16848 1.00000
Er6 Er 0.27656 0.05642 0.83152 1.00000
Er7 Er 0.72344 0.94358 0.16848 1.00000
Er8 Er 0.94358 0.72344 0.83152 1.00000
Er9 Er 0.22279 0.44384 0.66903 1.00000
Er10 Er 0.55616 0.77721 0.66903 1.00000
Er11 Er 0.44384 0.22279 0.33097 1.00000
Er12 Er 0.77721 0.55616 0.33097 1.00000
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