Nd2P2Rh
Alexandria ALEXAlex-ID: agm003403645 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_1401_spg12
NdPRh NdP
2022-02-11 18:00:32.471174
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003403645).
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 agm003403645
data_agm003403645
_cell_length_a 4.10253
_cell_length_b 5.80237
_cell_length_c 9.94679
_cell_angle_alpha 78.22695
_cell_angle_beta 78.09885
_cell_angle_gamma 69.29710
_cell_volume 214.49106
_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 0.69885 0.24361 0.35870 1.00000
Nd2 Nd 0.91120 0.28098 0.89662 1.00000
Nd3 Nd 0.30115 0.75639 0.64130 1.00000
Nd4 Nd 0.08880 0.71902 0.10338 1.00000
P1 P 0.04484 0.32628 0.58404 1.00000
P2 P 0.65795 0.82169 0.86240 1.00000
P3 P 0.95516 0.67372 0.41596 1.00000
P4 P 0.34205 0.17831 0.13760 1.00000
Rh1 Rh 0.56618 0.18571 0.68193 1.00000
Rh2 Rh 0.43382 0.81429 0.31807 1.00000
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