Nd4AgPt2
Alexandria ALEXAlex-ID: agm003446397 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_191_spg122
Nd5Pt3 Nd2AgPt Nd7Pt3
2022-02-15 23:11:46.166757
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003446397).
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 agm003446397
data_agm003446397
_cell_length_a 8.18381
_cell_length_b 8.18420
_cell_length_c 8.17785
_cell_angle_alpha 109.24321
_cell_angle_beta 109.21411
_cell_angle_gamma 110.00005
_cell_volume 421.40065
_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 0.92047 0.23445 0.31397 1.00000
Nd2 Nd 0.32996 0.51554 0.18647 1.00000
Nd3 Nd 0.92049 0.60652 0.68609 1.00000
Nd4 Nd 0.76547 0.07997 0.68639 1.00000
Nd5 Nd 0.39355 0.07911 0.31353 1.00000
Nd6 Nd 0.32906 0.14347 0.81346 1.00000
Nd7 Nd 0.48452 0.67045 0.81403 1.00000
Nd8 Nd 0.85645 0.67048 0.18605 1.00000
Ag1 Ag 0.24962 0.74955 0.50002 1.00000
Ag2 Ag 0.00039 0.00046 0.99998 1.00000
Pt1 Pt 0.62475 0.37500 0.74975 1.00000
Pt2 Pt 0.62526 0.87500 0.25025 1.00000
Pt3 Pt 0.62500 0.37473 0.24973 1.00000
Pt4 Pt 0.12500 0.37527 0.75026 1.00000
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