NaInF4
Alexandria ALEXAlex-ID: agm064032023 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_91_spg1
NaInF4
2025-01-02 09:10:15
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm064032023).
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 agm064032023
data_agm064032023
_cell_length_a 5.51423
_cell_length_b 5.51423
_cell_length_c 5.65933
_cell_angle_alpha 89.61152
_cell_angle_beta 90.38848
_cell_angle_gamma 102.00779
_cell_volume 168.30997
_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 0.23119 0.23119 0.00000 1.00000
Na2 Na 0.76881 0.76881 0.00000 1.00000
In1 In 0.29226 0.70774 0.45836 1.00000
In2 In 0.70774 0.29226 0.54164 1.00000
F1 F 0.46683 0.53317 0.73144 1.00000
F2 F 0.53317 0.46683 0.26856 1.00000
F3 F 0.35907 0.04601 0.66185 1.00000
F4 F 0.84410 0.15590 0.84157 1.00000
F5 F 0.04601 0.35907 0.33815 1.00000
F6 F 0.64093 0.95399 0.33815 1.00000
F7 F 0.95399 0.64093 0.66185 1.00000
F8 F 0.15590 0.84410 0.15843 1.00000
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