Rb3Ni3P2
Alexandria ALEXAlex-ID: agm009749065 · Space group: Cmcm (#63)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_268_spg194
Rb(NiP)2 Ni3P Rb
2024-07-13 11:21:59.711116
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009749065).
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 agm009749065
data_agm009749065
_cell_length_a 5.17532
_cell_length_b 11.65240
_cell_length_c 14.78775
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 891.77467
_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
Rb1 Rb 0.00229 0.51132 0.38385 1.00000
Rb2 Rb 0.50229 0.98868 0.61615 1.00000
Rb3 Rb 0.99771 0.48868 0.88385 1.00000
Rb4 Rb 0.49771 0.01132 0.11615 1.00000
Rb5 Rb 0.99771 0.48868 0.61615 1.00000
Rb6 Rb 0.49771 0.01132 0.38385 1.00000
Rb7 Rb 0.00229 0.51132 0.11615 1.00000
Rb8 Rb 0.50229 0.98868 0.88385 1.00000
Rb9 Rb 0.49882 0.32629 0.25000 1.00000
Rb10 Rb 0.99882 0.17371 0.75000 1.00000
Rb11 Rb 0.50118 0.67371 0.75000 1.00000
Rb12 Rb 0.00118 0.82629 0.25000 1.00000
Ni1 Ni 0.99809 0.16511 0.25000 1.00000
Ni2 Ni 0.49809 0.33489 0.75000 1.00000
Ni3 Ni 0.00191 0.83489 0.75000 1.00000
Ni4 Ni 0.50191 0.66511 0.25000 1.00000
Ni5 Ni 0.74693 0.25010 0.49981 1.00000
Ni6 Ni 0.24693 0.24990 0.50019 1.00000
Ni7 Ni 0.25307 0.74990 0.99981 1.00000
Ni8 Ni 0.75307 0.75010 0.00019 1.00000
Ni9 Ni 0.25307 0.74990 0.50019 1.00000
Ni10 Ni 0.75307 0.75010 0.49981 1.00000
Ni11 Ni 0.74693 0.25010 0.00019 1.00000
Ni12 Ni 0.24693 0.24990 0.99981 1.00000
P1 P 0.99757 0.20083 0.38976 1.00000
P2 P 0.49757 0.29917 0.61024 1.00000
P3 P 0.00243 0.79917 0.88976 1.00000
P4 P 0.50243 0.70083 0.11024 1.00000
P5 P 0.00243 0.79917 0.61024 1.00000
P6 P 0.50243 0.70083 0.38976 1.00000
P7 P 0.99757 0.20083 0.11024 1.00000
P8 P 0.49757 0.29917 0.88976 1.00000
