KMg2CdGaGe3(O5F)2
Alexandria ALEXAlex-ID: agm010259685 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2E2F3G10_0_spg1
K4Ge9O20 KMgF3 Cd3Ga2(GeO4)3 Cd2GeO4 KMg3GaGe3(O5F)2 MgF2
2024-07-22 07:33:30.677734
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010259685).
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 agm010259685
data_agm010259685
_cell_length_a 5.55550
_cell_length_b 5.58933
_cell_length_c 10.86884
_cell_angle_alpha 85.15891
_cell_angle_beta 80.79302
_cell_angle_gamma 60.20582
_cell_volume 289.10459
_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
K1 K 0.49727 0.01070 0.97868 1.00000
Mg1 Mg 0.00947 0.99488 0.50276 1.00000
Mg2 Mg 0.66443 0.66249 0.50314 1.00000
Cd1 Cd 0.32620 0.33759 0.51703 1.00000
Ga1 Ga 0.23901 0.67714 0.77286 1.00000
Ge1 Ge 0.89810 0.33465 0.77647 1.00000
Ge2 Ge 0.75956 0.33473 0.23091 1.00000
Ge3 Ge 0.08253 0.67429 0.23028 1.00000
O1 O 0.95866 0.01107 0.84049 1.00000
O2 O 0.99894 0.00472 0.16222 1.00000
O3 O 0.56056 0.58421 0.84153 1.00000
O4 O 0.15109 0.39992 0.82179 1.00000
O5 O 0.43901 0.44324 0.17121 1.00000
O6 O 0.88574 0.56015 0.16112 1.00000
O7 O 0.30421 0.69551 0.60063 1.00000
O8 O 0.93269 0.32944 0.60783 1.00000
O9 O 0.73012 0.32845 0.39381 1.00000
O10 O 0.01101 0.68814 0.39251 1.00000
F1 F 0.68317 0.95378 0.59265 1.00000
F2 F 0.36823 0.97491 0.40207 1.00000
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