Nd(TmAg3)2
Alexandria ALEXAlex-ID: agm005723030 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_645_spg15
NdAg2 TmAg2
2023-07-06 09:46:04.077001
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005723030).
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 agm005723030
data_agm005723030
_cell_length_a 5.31075
_cell_length_b 8.91624
_cell_length_c 8.91624
_cell_angle_alpha 75.55297
_cell_angle_beta 81.74335
_cell_angle_gamma 81.74335
_cell_volume 402.04576
_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 0.25000 0.12526 0.87474 1.00000
Nd2 Nd 0.75000 0.87474 0.12526 1.00000
Tm1 Tm 0.41143 0.54317 0.78927 1.00000
Tm2 Tm 0.08857 0.21073 0.45683 1.00000
Tm3 Tm 0.58857 0.45683 0.21073 1.00000
Tm4 Tm 0.91143 0.78927 0.54317 1.00000
Ag1 Ag 0.46759 0.67386 0.43559 1.00000
Ag2 Ag 0.03241 0.56441 0.32614 1.00000
Ag3 Ag 0.53241 0.32614 0.56441 1.00000
Ag4 Ag 0.96759 0.43559 0.67386 1.00000
Ag5 Ag 0.64421 0.10123 0.35539 1.00000
Ag6 Ag 0.85579 0.64461 0.89877 1.00000
Ag7 Ag 0.35579 0.89877 0.64461 1.00000
Ag8 Ag 0.14421 0.35539 0.10123 1.00000
Ag9 Ag 0.30689 0.74834 0.01627 1.00000
Ag10 Ag 0.19311 0.98373 0.25166 1.00000
Ag11 Ag 0.69311 0.25166 0.98373 1.00000
Ag12 Ag 0.80689 0.01627 0.74834 1.00000
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