CsErCd2F8
Alexandria ALEXAlex-ID: agm004909660 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_339_spg12
CsCdF3 CsEr2F7 CdF2
2022-12-20 02:59:02.060089
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909660).
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 agm004909660
data_agm004909660
_cell_length_a 5.44593
_cell_length_b 5.58003
_cell_length_c 8.06440
_cell_angle_alpha 82.58094
_cell_angle_beta 83.37462
_cell_angle_gamma 81.20809
_cell_volume 239.01112
_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
Cs1 Cs 0.00000 0.00000 0.50000 1.00000
Er1 Er 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.45558 0.45569 0.72851 1.00000
Cd2 Cd 0.54442 0.54431 0.27149 1.00000
F1 F 0.19303 0.77024 0.19808 1.00000
F2 F 0.72169 0.75646 0.05273 1.00000
F3 F 0.79360 0.21994 0.18814 1.00000
F4 F 0.80697 0.22976 0.80192 1.00000
F5 F 0.27831 0.24354 0.94727 1.00000
F6 F 0.20640 0.78006 0.81186 1.00000
F7 F 0.63493 0.67729 0.50620 1.00000
F8 F 0.36507 0.32271 0.49380 1.00000
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