Cd2InGaF8
Alexandria ALEXAlex-ID: agm004909488 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
CdInGaF6 CdF2
2022-12-20 06:16:22.052679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909488).
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 agm004909488
data_agm004909488
_cell_length_a 5.12120
_cell_length_b 5.07374
_cell_length_c 7.28276
_cell_angle_alpha 89.40885
_cell_angle_beta 89.55488
_cell_angle_gamma 89.35575
_cell_volume 189.20515
_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
Cd1 Cd 0.49997 0.50012 0.75717 1.00000
Cd2 Cd 0.50003 0.49988 0.24283 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
F1 F 0.17303 0.79818 0.18769 1.00000
F2 F 0.71271 0.73299 0.99887 1.00000
F3 F 0.82106 0.19578 0.18695 1.00000
F4 F 0.82697 0.20182 0.81231 1.00000
F5 F 0.28729 0.26701 0.00113 1.00000
F6 F 0.17894 0.80422 0.81305 1.00000
F7 F 0.63145 0.71208 0.49772 1.00000
F8 F 0.36855 0.28792 0.50228 1.00000
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