RbNp(PO3)4
Alexandria ALEXAlex-ID: agm021894136 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_61_spg4
RbPO3 Np(PO3)4 NpP2O7 P
2025-01-02 21:55:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021894136).
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 agm021894136
data_agm021894136
_cell_length_a 7.52513
_cell_length_b 8.59793
_cell_length_c 8.19968
_cell_angle_alpha 90.00000
_cell_angle_beta 91.61294
_cell_angle_gamma 90.00000
_cell_volume 530.31366
_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 0.77074 0.54264 0.71327 1.00000
Rb2 Rb 0.22926 0.04264 0.28673 1.00000
Np1 Np 0.26370 0.74677 0.75892 1.00000
Np2 Np 0.73630 0.24677 0.24108 1.00000
P1 P 0.49184 0.60211 0.37489 1.00000
P2 P 0.50816 0.10211 0.62511 1.00000
P3 P 0.88255 0.00408 0.61026 1.00000
P4 P 0.11745 0.50408 0.38974 1.00000
P5 P 0.06883 0.12451 0.90463 1.00000
P6 P 0.93117 0.62451 0.09537 1.00000
P7 P 0.39885 0.32748 0.89937 1.00000
P8 P 0.60115 0.82748 0.10063 1.00000
O1 O 0.11247 0.56508 0.56100 1.00000
O2 O 0.88753 0.06508 0.43900 1.00000
O3 O 0.52938 0.79655 0.93089 1.00000
O4 O 0.47062 0.29655 0.06911 1.00000
O5 O 0.96759 0.85079 0.64996 1.00000
O6 O 0.03241 0.35079 0.35004 1.00000
O7 O 0.03577 0.63818 0.26968 1.00000
O8 O 0.96423 0.13818 0.73032 1.00000
O9 O 0.32018 0.49595 0.33139 1.00000
O10 O 0.67982 0.99595 0.66861 1.00000
O11 O 0.46331 0.69626 0.52649 1.00000
O12 O 0.53669 0.19626 0.47351 1.00000
O13 O 0.59468 0.98929 0.16848 1.00000
O14 O 0.40532 0.48929 0.83152 1.00000
O15 O 0.19444 0.27480 0.88196 1.00000
O16 O 0.80556 0.77480 0.11804 1.00000
O17 O 0.51142 0.21519 0.78160 1.00000
O18 O 0.48858 0.71519 0.21840 1.00000
O19 O 0.34829 0.99786 0.62550 1.00000
O20 O 0.65171 0.49786 0.37450 1.00000
O21 O 0.17755 0.97936 0.92411 1.00000
O22 O 0.82245 0.47936 0.07589 1.00000
O23 O 0.94180 0.15781 0.03860 1.00000
O24 O 0.05820 0.65781 0.96140 1.00000
