Nd3TmAg3
Alexandria ALEXAlex-ID: agm003545015 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_288_spg12
NdTmAg2 Nd NdAg
2022-03-23 07:52:19.377669
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545015).
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 agm003545015
data_agm003545015
_cell_length_a 7.42750
_cell_length_b 7.42750
_cell_length_c 7.16932
_cell_angle_alpha 90.81857
_cell_angle_beta 90.81857
_cell_angle_gamma 94.17226
_cell_volume 394.38024
_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 0.64233 0.64233 0.37444 1.00000
Nd2 Nd 0.17735 0.82265 0.50000 1.00000
Nd3 Nd 0.82265 0.17735 0.50000 1.00000
Nd4 Nd 0.27381 0.72619 0.00000 1.00000
Nd5 Nd 0.72619 0.27381 0.00000 1.00000
Nd6 Nd 0.35767 0.35767 0.62556 1.00000
Tm1 Tm 0.74919 0.74919 0.86589 1.00000
Tm2 Tm 0.25081 0.25081 0.13411 1.00000
Ag1 Ag 0.93213 0.93213 0.17620 1.00000
Ag2 Ag 0.98948 0.49115 0.72848 1.00000
Ag3 Ag 0.49115 0.98948 0.72848 1.00000
Ag4 Ag 0.01052 0.50885 0.27152 1.00000
Ag5 Ag 0.50885 0.01052 0.27152 1.00000
Ag6 Ag 0.06787 0.06787 0.82380 1.00000
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