Nd3Y2PaP6
Alexandria ALEXAlex-ID: agm047291248 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_175_spg12
Y5PaP6 Nd5PaP6
2025-01-19 03:33:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047291248).
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 agm047291248
data_agm047291248
_cell_length_a 7.04886
_cell_length_b 7.04886
_cell_length_c 7.08067
_cell_angle_alpha 80.46563
_cell_angle_beta 99.53437
_cell_angle_gamma 60.00292
_cell_volume 287.48457
_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 0.16836 0.16836 0.00000 1.00000
Nd2 Nd 0.83164 0.83164 0.00000 1.00000
Nd3 Nd 0.50000 0.50000 0.00000 1.00000
Y1 Y 0.33373 0.33373 0.50000 1.00000
Y2 Y 0.66627 0.66627 0.50000 1.00000
Pa1 Pa 0.00000 0.00000 0.50000 1.00000
P1 P 0.40547 0.92115 0.73697 1.00000
P2 P 0.24725 0.75275 0.26331 1.00000
P3 P 0.59453 0.07885 0.26303 1.00000
P4 P 0.07885 0.59453 0.73697 1.00000
P5 P 0.75275 0.24725 0.73669 1.00000
P6 P 0.92115 0.40547 0.26303 1.00000
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