NdGa2WO8
Alexandria ALEXAlex-ID: agm004901435 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
Nd2W2O9 WO5 NdO5 Ga2O3
2023-01-03 01:25:23.149609
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004901435).
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 agm004901435
data_agm004901435
_cell_length_a 4.70021
_cell_length_b 4.69756
_cell_length_c 6.65085
_cell_angle_alpha 89.99984
_cell_angle_beta 90.00019
_cell_angle_gamma 89.05228
_cell_volume 146.82734
_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 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.50000 0.50000 0.76843 1.00000
Ga2 Ga 0.50000 0.50000 0.23157 1.00000
W1 W 0.00000 0.00000 0.00000 1.00000
O1 O 0.20262 0.79665 0.21001 1.00000
O2 O 0.70328 0.70396 0.00000 1.00000
O3 O 0.79739 0.20336 0.21001 1.00000
O4 O 0.79738 0.20335 0.78999 1.00000
O5 O 0.29672 0.29604 1.00000 1.00000
O6 O 0.20261 0.79664 0.78999 1.00000
O7 O 0.66185 0.66236 0.50000 1.00000
O8 O 0.33815 0.33764 0.50000 1.00000
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