Nd2(Er2Sc)3
Alexandria ALEXAlex-ID: agm005605680 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_250_spg12
Nd2Er7 NdEr2 Sc
2023-06-12 21:38:15.238264
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605680).
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 agm005605680
data_agm005605680
_cell_length_a 5.96297
_cell_length_b 5.96894
_cell_length_c 11.39318
_cell_angle_alpha 84.95165
_cell_angle_beta 79.85330
_cell_angle_gamma 60.03307
_cell_volume 345.80682
_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 0.16663 0.66673 0.50000 1.00000
Nd2 Nd 0.83337 0.33327 0.50000 1.00000
Er1 Er 0.41319 0.66629 0.76188 1.00000
Er2 Er 0.74685 0.00000 0.76131 1.00000
Er3 Er 0.07948 0.33371 0.76188 1.00000
Er4 Er 0.25315 1.00000 0.23869 1.00000
Er5 Er 0.58681 0.33371 0.23812 1.00000
Er6 Er 0.92052 0.66629 0.23812 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Sc2 Sc 0.33463 0.33074 0.00000 1.00000
Sc3 Sc 0.66537 0.66926 1.00000 1.00000
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