ZnInF4
Alexandria ALEXAlex-ID: agm002270637 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_195_spg12
InF2 ZnF2
2019-01-04 17:48:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002270637).
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 agm002270637
data_agm002270637
_cell_length_a 6.32408
_cell_length_b 4.21250
_cell_length_c 7.26382
_cell_angle_alpha 60.24115
_cell_angle_beta 68.07700
_cell_angle_gamma 84.70014
_cell_volume 154.80075
_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
Zn1 Zn 0.85851 0.26147 0.14170 1.00000
Zn2 Zn 0.14149 0.73853 0.85828 1.00000
F1 F 0.26931 0.23535 0.26583 1.00000
F2 F 0.05898 0.25766 0.65420 1.00000
F3 F 0.39834 0.67042 0.59977 1.00000
F4 F 0.65497 0.02384 0.06043 1.00000
F5 F 0.34503 0.97616 0.93955 1.00000
F6 F 0.60166 0.32958 0.40022 1.00000
F7 F 0.94102 0.74234 0.34578 1.00000
F8 F 0.73069 0.76465 0.73415 1.00000
In1 In 0.31634 0.68483 0.31626 1.00000
In2 In 0.68366 0.31517 0.68372 1.00000
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