Nd2As3Pt4Rh
Alexandria ALEXAlex-ID: agm004519087 · Space group: P-4m2 (#115)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D4_7_spg115
Nd2Pt7 Nd6As19Rh30 NdAsPt As2Pt
2022-06-21 02:22:57.404182
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004519087).
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 agm004519087
data_agm004519087
_cell_length_a 4.32053
_cell_length_b 4.32053
_cell_length_c 10.46578
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 195.36416
_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 0.50000 0.00000 0.25077 1.00000
Nd2 Nd 0.00000 0.50000 0.74923 1.00000
As1 As 0.00000 0.00000 0.50000 1.00000
As2 As 0.50000 0.00000 0.86953 1.00000
As3 As 0.00000 0.50000 0.13047 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.00000 0.00000 0.00000 1.00000
Pt3 Pt 0.50000 0.00000 0.63977 1.00000
Pt4 Pt 0.00000 0.50000 0.36023 1.00000
Rh1 Rh 0.50000 0.50000 0.50000 1.00000
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