NdAg(SO4)2
Alexandria ALEXAlex-ID: agm019401697 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
Ag2SO4 Nd2(SO4)3
2024-12-29 01:37:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019401697).
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 agm019401697
data_agm019401697
_cell_length_a 5.43509
_cell_length_b 5.43509
_cell_length_c 8.20605
_cell_angle_alpha 81.06880
_cell_angle_beta 98.93120
_cell_angle_gamma 115.98296
_cell_volume 214.22354
_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
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
S1 S 0.31890 0.68110 0.27032 1.00000
S2 S 0.68110 0.31890 0.72968 1.00000
O1 O 0.79554 0.62537 0.70042 1.00000
O2 O 0.21799 0.78201 0.39386 1.00000
O3 O 0.23633 0.76367 0.09929 1.00000
O4 O 0.76367 0.23633 0.90071 1.00000
O5 O 0.78201 0.21799 0.60614 1.00000
O6 O 0.37463 0.20446 0.70042 1.00000
O7 O 0.62537 0.79554 0.29958 1.00000
O8 O 0.20446 0.37463 0.29958 1.00000
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