RbNd(GeI4)2
Alexandria ALEXAlex-ID: agm004898511 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_411_spg2
Rb2NdI5 NdI3 GeI2
2023-01-01 22:26:05.846766
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004898511).
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 agm004898511
data_agm004898511
_cell_length_a 7.86755
_cell_length_b 7.42021
_cell_length_c 10.03674
_cell_angle_alpha 83.78341
_cell_angle_beta 82.95575
_cell_angle_gamma 84.03737
_cell_volume 575.64904
_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
Rb1 Rb 0.00000 0.00000 0.50000 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.46366 0.44795 0.73831 1.00000
Ge2 Ge 0.53634 0.55205 0.26169 1.00000
I1 I 0.16888 0.73687 0.22268 1.00000
I2 I 0.67556 0.77167 0.03330 1.00000
I3 I 0.83395 0.25720 0.21760 1.00000
I4 I 0.83112 0.26313 0.77732 1.00000
I5 I 0.32444 0.22833 0.96670 1.00000
I6 I 0.16605 0.74280 0.78240 1.00000
I7 I 0.62670 0.72685 0.46280 1.00000
I8 I 0.37330 0.27315 0.53720 1.00000
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