NpWI4O15
Alexandria ALEXAlex-ID: agm009036038 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D15_0_spg4
NpO3 WO3 I I2O5
2024-12-25 08:34:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009036038).
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 agm009036038
data_agm009036038
_cell_length_a 6.91137
_cell_length_b 14.17615
_cell_length_c 7.05441
_cell_angle_alpha 90.00000
_cell_angle_beta 114.64269
_cell_angle_gamma 90.00000
_cell_volume 628.21984
_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
Np1 Np 0.40822 0.93949 0.56613 1.00000
Np2 Np 0.59178 0.43949 0.43387 1.00000
W1 W 0.91092 0.77010 0.21606 1.00000
W2 W 0.08908 0.27010 0.78394 1.00000
I1 I 0.98710 0.52925 0.24205 1.00000
I2 I 0.01290 0.02925 0.75795 1.00000
I3 I 0.75241 0.69228 0.69614 1.00000
I4 I 0.24759 0.19228 0.30386 1.00000
I5 I 0.35358 0.81114 0.05713 1.00000
I6 I 0.64642 0.31114 0.94287 1.00000
I7 I 0.72263 0.04258 0.13057 1.00000
I8 I 0.27737 0.54258 0.86943 1.00000
O1 O 0.11049 0.64857 0.30577 1.00000
O2 O 0.88951 0.14857 0.69423 1.00000
O3 O 0.23251 0.46073 0.36532 1.00000
O4 O 0.76749 0.96073 0.63468 1.00000
O5 O 0.91311 0.52299 0.46689 1.00000
O6 O 0.08689 0.02299 0.53311 1.00000
O7 O 0.74485 0.67764 0.96193 1.00000
O8 O 0.25515 0.17764 0.03807 1.00000
O9 O 0.58271 0.59003 0.58184 1.00000
O10 O 0.41729 0.09003 0.41816 1.00000
O11 O 0.55262 0.78641 0.61026 1.00000
O12 O 0.44738 0.28641 0.38974 1.00000
O13 O 0.06751 0.79169 0.01411 1.00000
O14 O 0.93249 0.29169 0.98589 1.00000
O15 O 0.26443 0.87688 0.81291 1.00000
O16 O 0.73557 0.37688 0.18709 1.00000
O17 O 0.39588 0.91354 0.23658 1.00000
O18 O 0.60412 0.41354 0.76342 1.00000
O19 O 0.96482 0.03408 0.08492 1.00000
O20 O 0.03518 0.53408 0.91508 1.00000
O21 O 0.72868 0.16981 0.17126 1.00000
O22 O 0.27132 0.66981 0.82874 1.00000
O23 O 0.51912 0.03711 0.85560 1.00000
O24 O 0.48088 0.53711 0.14440 1.00000
O25 O 0.70652 0.86064 0.07421 1.00000
O26 O 0.29348 0.36064 0.92579 1.00000
O27 O 0.12176 0.84174 0.40343 1.00000
O28 O 0.87824 0.34174 0.59657 1.00000
O29 O 0.76767 0.72448 0.36163 1.00000
O30 O 0.23233 0.22448 0.63837 1.00000
