RbNdP3HO10
Alexandria ALEXAlex-ID: agm006336594 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E10_16_spg2
RbNd(PO3)4 RbP(HO2)2 NdPO4
2024-12-03 07:59:10
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006336594).
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 agm006336594
data_agm006336594
_cell_length_a 7.13241
_cell_length_b 7.95287
_cell_length_c 8.76005
_cell_angle_alpha 75.09775
_cell_angle_beta 74.53599
_cell_angle_gamma 82.61074
_cell_volume 461.83798
_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 0.29709 0.28143 0.97447 1.00000
Rb2 Rb 0.70291 0.71857 0.02553 1.00000
Nd1 Nd 0.72803 0.63312 0.50973 1.00000
Nd2 Nd 0.27197 0.36688 0.49027 1.00000
P1 P 0.82284 0.30898 0.34375 1.00000
P2 P 0.83213 0.24072 0.80760 1.00000
P3 P 0.16787 0.75928 0.19240 1.00000
P4 P 0.34851 0.95196 0.36743 1.00000
P5 P 0.17716 0.69102 0.65625 1.00000
P6 P 0.65149 0.04804 0.63257 1.00000
H1 H 0.18522 0.78644 0.92850 1.00000
H2 H 0.81478 0.21356 0.07150 1.00000
O1 O 0.75956 0.16233 0.99598 1.00000
O2 O 0.96086 0.37221 0.42230 1.00000
O3 O 0.46184 0.15603 0.65958 1.00000
O4 O 0.36917 0.57509 0.62591 1.00000
O5 O 0.64782 0.85269 0.66519 1.00000
O6 O 0.77686 0.10972 0.44781 1.00000
O7 O 0.21585 0.92189 0.25550 1.00000
O8 O 0.09637 0.70229 0.83110 1.00000
O9 O 0.22314 0.89028 0.55219 1.00000
O10 O 0.53816 0.84397 0.34042 1.00000
O11 O 0.78415 0.07811 0.74450 1.00000
O12 O 0.35218 0.14731 0.33481 1.00000
O13 O 0.94987 0.74342 0.24692 1.00000
O14 O 0.90363 0.29771 0.16890 1.00000
O15 O 0.29640 0.59883 0.24632 1.00000
O16 O 0.70360 0.40117 0.75368 1.00000
O17 O 0.03914 0.62779 0.57770 1.00000
O18 O 0.63083 0.42491 0.37409 1.00000
O19 O 0.05013 0.25658 0.75308 1.00000
O20 O 0.24044 0.83767 0.00402 1.00000
