NdEr2(ScTl)2
Alexandria ALEXAlex-ID: agm025596102 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_16_spg166
Er3Sc2Tl3 NdScTl Sc Er
2025-06-27 08:10:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm025596102).
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 agm025596102
data_agm025596102
_cell_length_a 5.28746
_cell_length_b 5.28746
_cell_length_c 8.54525
_cell_angle_alpha 72.04258
_cell_angle_beta 107.95742
_cell_angle_gamma 120.04977
_cell_volume 193.25002
_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 0.00000 0.00000 0.50000 1.00000
Er1 Er 0.42987 0.57013 0.78954 1.00000
Er2 Er 0.57013 0.42987 0.21046 1.00000
Sc1 Sc 0.84340 0.15660 0.03014 1.00000
Sc2 Sc 0.15660 0.84340 0.96986 1.00000
Tl1 Tl 0.27982 0.72018 0.33944 1.00000
Tl2 Tl 0.72018 0.27982 0.66056 1.00000
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