Cd5Ge2(O4F)2
Alexandria ALEXAlex-ID: agm009227097 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5D8_2_spg14
Cd5Ge2(O4F)2
2024-09-23 05:33:08.572148
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009227097).
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 agm009227097
data_agm009227097
_cell_length_a 5.25269
_cell_length_b 8.78474
_cell_length_c 11.51089
_cell_angle_alpha 70.67610
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 501.22938
_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 0.99602 0.57795 0.11875 1.00000
Cd2 Cd 0.49602 0.42205 0.38125 1.00000
Cd3 Cd 0.00398 0.42205 0.88125 1.00000
Cd4 Cd 0.50398 0.57795 0.61875 1.00000
Cd5 Cd 0.49789 0.80628 0.83101 1.00000
Cd6 Cd 0.99789 0.19372 0.66899 1.00000
Cd7 Cd 0.50211 0.19372 0.16899 1.00000
Cd8 Cd 0.00211 0.80628 0.33101 1.00000
Cd9 Cd 0.00000 0.00000 0.00000 1.00000
Cd10 Cd 0.50000 0.00000 0.50000 1.00000
Ge1 Ge 0.56591 0.20256 0.85317 1.00000
Ge2 Ge 0.06591 0.79744 0.64683 1.00000
Ge3 Ge 0.43409 0.79744 0.14683 1.00000
Ge4 Ge 0.93409 0.20256 0.35317 1.00000
O1 O 0.28531 0.79091 0.00738 1.00000
O2 O 0.78531 0.20909 0.49262 1.00000
O3 O 0.71469 0.20909 0.99262 1.00000
O4 O 0.21469 0.79091 0.50738 1.00000
O5 O 0.77580 0.36673 0.23929 1.00000
O6 O 0.27580 0.63327 0.26071 1.00000
O7 O 0.22420 0.63327 0.76071 1.00000
O8 O 0.72420 0.36673 0.73929 1.00000
O9 O 0.71675 0.03033 0.83167 1.00000
O10 O 0.21675 0.96967 0.66833 1.00000
O11 O 0.28325 0.96967 0.16833 1.00000
O12 O 0.78325 0.03033 0.33167 1.00000
O13 O 0.23091 0.20625 0.84966 1.00000
O14 O 0.73091 0.79375 0.65034 1.00000
O15 O 0.76909 0.79375 0.15034 1.00000
O16 O 0.26909 0.20625 0.34966 1.00000
F1 F 0.77651 0.60946 0.94095 1.00000
F2 F 0.27651 0.39054 0.55905 1.00000
F3 F 0.22349 0.39054 0.05905 1.00000
F4 F 0.72349 0.60946 0.44095 1.00000
