Nd3As4Rh7
Alexandria ALEXAlex-ID: agm005703610 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_8_spg12
Nd7As12Rh17 NdRh2
2023-06-29 16:08:30.145876
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703610).
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 agm005703610
data_agm005703610
_cell_length_a 4.11553
_cell_length_b 8.06329
_cell_length_c 8.38982
_cell_angle_alpha 70.97388
_cell_angle_beta 75.80227
_cell_angle_gamma 75.21446
_cell_volume 250.45645
_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 0.32989 0.17442 0.16580 1.00000
Nd2 Nd 0.67011 0.82558 0.83420 1.00000
Nd3 Nd 0.00000 0.50000 0.50000 1.00000
As1 As 0.66533 0.44274 0.22661 1.00000
As2 As 0.33467 0.55726 0.77339 1.00000
As3 As 0.89039 0.88879 0.33044 1.00000
As4 As 0.10961 0.11121 0.66956 1.00000
Rh1 Rh 0.30294 0.85411 0.54002 1.00000
Rh2 Rh 0.49225 0.23670 0.77880 1.00000
Rh3 Rh 0.83326 0.40897 0.92450 1.00000
Rh4 Rh 0.69706 0.14589 0.45998 1.00000
Rh5 Rh 0.16674 0.59103 0.07550 1.00000
Rh6 Rh 0.00000 0.00000 0.00000 1.00000
Rh7 Rh 0.50775 0.76330 0.22120 1.00000
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