NaNdAs2O7
Alexandria ALEXAlex-ID: agm005508540 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D7_0_spg5
NaAsO3 NdAsO4
2023-03-15 10:34:14.637558
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508540).
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 agm005508540
data_agm005508540
_cell_length_a 5.13384
_cell_length_b 6.07888
_cell_length_c 5.99336
_cell_angle_alpha 104.19533
_cell_angle_beta 96.85249
_cell_angle_gamma 97.99666
_cell_volume 177.25842
_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
Na1 Na 0.57430 0.21974 0.73575 1.00000
As1 As 0.07616 0.75980 0.83372 1.00000
As2 As 0.90962 0.17188 0.24549 1.00000
Nd1 Nd 0.49718 0.63216 0.36626 1.00000
O1 O 0.22497 0.65784 0.04464 1.00000
O2 O 0.79583 0.57766 0.67875 1.00000
O3 O 0.29217 0.84614 0.66436 1.00000
O4 O 0.74767 0.99257 0.38159 1.00000
O5 O 0.95813 0.02119 0.95846 1.00000
O6 O 0.71254 0.34811 0.15539 1.00000
O7 O 0.21141 0.30614 0.40236 1.00000
Get direct link