Pm2Nd6Rh
Alexandria ALEXAlex-ID: agm003491663 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_672_spg65
Pm2NdRh Nd
2022-03-10 15:48:15.167618
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003491663).
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
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# CIF generated by HEAS from Alexandria entry agm003491663
data_agm003491663
_cell_length_a 3.72018
_cell_length_b 9.39378
_cell_length_c 10.06928
_cell_angle_alpha 117.81519
_cell_angle_beta 90.01978
_cell_angle_gamma 90.00005
_cell_volume 311.22861
_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
Pm1 Pm 0.49980 0.67113 0.34227 1.00000
Pm2 Pm 0.50020 0.32887 0.65773 1.00000
Nd1 Nd 0.00006 0.33469 0.33555 1.00000
Nd2 Nd 0.99994 0.99915 0.66444 1.00000
Nd3 Nd 0.99994 0.66531 0.66445 1.00000
Nd4 Nd 0.50000 0.22077 1.00000 1.00000
Nd5 Nd 0.00006 0.00085 0.33556 1.00000
Nd6 Nd 0.50000 0.77923 0.00000 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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