BaNp(AgI4)2
Alexandria ALEXAlex-ID: agm004883546 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_290_spg2
BaNpI6 AgI
2022-08-10 04:47:45.482564
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004883546).
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 agm004883546
data_agm004883546
_cell_length_a 7.61113
_cell_length_b 8.05511
_cell_length_c 9.83953
_cell_angle_alpha 70.56553
_cell_angle_beta 89.92415
_cell_angle_gamma 100.02972
_cell_volume 559.03984
_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
Ba1 Ba 0.00000 0.00000 0.50000 1.00000
Np1 Np 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.53131 0.34685 0.67641 1.00000
Ag2 Ag 0.46869 0.65315 0.32359 1.00000
I1 I 0.10626 0.74773 0.28566 1.00000
I2 I 0.63833 0.76781 0.04460 1.00000
I3 I 0.87472 0.22468 0.15663 1.00000
I4 I 0.89374 0.25227 0.71434 1.00000
I5 I 0.36167 0.23219 0.95540 1.00000
I6 I 0.12528 0.77532 0.84337 1.00000
I7 I 0.57842 0.73508 0.57214 1.00000
I8 I 0.42158 0.26492 0.42786 1.00000
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