Nd14ErSc
Alexandria ALEXAlex-ID: agm005776205 · Space group: P4/mmm (#123)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_14_spg123
Nd NdEr2 Sc
2023-07-21 00:15:31.806517
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005776205).
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 agm005776205
data_agm005776205
_cell_length_a 7.29143
_cell_length_b 7.29143
_cell_length_c 10.29736
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00435
_cell_volume 547.45884
_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 0.37525 0.62475 0.50000 1.00000
Nd2 Nd 0.87477 0.12523 0.50000 1.00000
Nd3 Nd 0.87449 0.62439 0.00000 1.00000
Nd4 Nd 0.87552 0.62551 0.50000 1.00000
Nd5 Nd 0.37561 0.12551 0.00000 1.00000
Nd6 Nd 0.37449 0.12448 0.50000 1.00000
Nd7 Nd 0.62680 0.87681 0.75481 1.00000
Nd8 Nd 0.62680 0.87681 0.24519 1.00000
Nd9 Nd 0.12319 0.37320 0.75481 1.00000
Nd10 Nd 0.12319 0.37320 0.24519 1.00000
Nd11 Nd 0.12297 0.87703 0.75518 1.00000
Nd12 Nd 0.12297 0.87703 0.24482 1.00000
Nd13 Nd 0.62701 0.37299 0.75451 1.00000
Nd14 Nd 0.62701 0.37299 0.24549 1.00000
Er1 Er 0.37482 0.62518 0.00000 1.00000
Sc1 Sc 0.87511 0.12489 0.00000 1.00000
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