ScTlCd2F8
Alexandria ALEXAlex-ID: agm004909591 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_356_spg65
ScTlF4 CdF2
2022-12-23 03:06:10.388880
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909591).
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 agm004909591
data_agm004909591
_cell_length_a 5.22273
_cell_length_b 5.21730
_cell_length_c 7.40840
_cell_angle_alpha 89.92428
_cell_angle_beta 89.94399
_cell_angle_gamma 88.93732
_cell_volume 201.83302
_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
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
Tl1 Tl 0.00000 0.00000 0.50000 1.00000
Cd1 Cd 0.49999 0.49994 0.75324 1.00000
Cd2 Cd 0.50001 0.50006 0.24676 1.00000
F1 F 0.18383 0.78590 0.19007 1.00000
F2 F 0.70479 0.72847 0.99992 1.00000
F3 F 0.81548 0.21333 0.18999 1.00000
F4 F 0.81617 0.21410 0.80993 1.00000
F5 F 0.29521 0.27153 0.00008 1.00000
F6 F 0.18452 0.78667 0.81001 1.00000
F7 F 0.61393 0.71243 0.49972 1.00000
F8 F 0.38607 0.28757 0.50028 1.00000
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