NdWO5
Alexandria ALEXAlex-ID: agm005265296 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_62_spg14
Nd2W2O9 WO5 NdO5
2023-05-12 04:00:05.284229
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265296).
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 agm005265296
data_agm005265296
_cell_length_a 13.05749
_cell_length_b 5.44647
_cell_length_c 7.26520
_cell_angle_alpha 63.37180
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 461.87806
_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 0.05503 0.63664 0.71158 1.00000
Nd2 Nd 0.55503 0.36336 0.78842 1.00000
Nd3 Nd 0.94497 0.36336 0.28842 1.00000
Nd4 Nd 0.44497 0.63664 0.21158 1.00000
W1 W 0.36100 0.86789 0.64382 1.00000
W2 W 0.86100 0.13211 0.85618 1.00000
W3 W 0.63900 0.13211 0.35618 1.00000
W4 W 0.13900 0.86789 0.14382 1.00000
O1 O 0.22469 0.82240 0.67623 1.00000
O2 O 0.72469 0.17760 0.82377 1.00000
O3 O 0.77531 0.17760 0.32377 1.00000
O4 O 0.27531 0.82240 0.17623 1.00000
O5 O 0.62344 0.80397 0.58480 1.00000
O6 O 0.12344 0.19603 0.91520 1.00000
O7 O 0.37656 0.19603 0.41520 1.00000
O8 O 0.87656 0.80397 0.08480 1.00000
O9 O 0.43470 0.99328 0.82255 1.00000
O10 O 0.93470 0.00672 0.67745 1.00000
O11 O 0.56530 0.00672 0.17745 1.00000
O12 O 0.06530 0.99328 0.32255 1.00000
O13 O 0.41595 0.64218 0.53925 1.00000
O14 O 0.91595 0.35782 0.96075 1.00000
O15 O 0.58405 0.35782 0.46075 1.00000
O16 O 0.08405 0.64218 0.03925 1.00000
O17 O 0.40557 0.55253 0.91678 1.00000
O18 O 0.90557 0.44747 0.58322 1.00000
O19 O 0.59443 0.44747 0.08322 1.00000
O20 O 0.09443 0.55253 0.41678 1.00000
