Nd2Y3P4
Alexandria ALEXAlex-ID: agm005688397 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_761_spg12
Nd6P5 Nd YP
2023-06-27 23:10:08.109987
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688397).
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 agm005688397
data_agm005688397
_cell_length_a 4.02924
_cell_length_b 6.97073
_cell_length_c 9.10855
_cell_angle_alpha 74.59252
_cell_angle_beta 77.22171
_cell_angle_gamma 73.20123
_cell_volume 233.20238
_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 0.60105 0.19299 0.60490 1.00000
Nd2 Nd 0.39895 0.80701 0.39510 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Y2 Y 0.20535 0.40130 0.18801 1.00000
Y3 Y 0.79465 0.59870 0.81199 1.00000
P1 P 0.79838 0.10586 0.29738 1.00000
P2 P 0.20162 0.89414 0.70262 1.00000
P3 P 0.39869 0.30162 0.90100 1.00000
P4 P 0.60131 0.69838 0.09900 1.00000
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