KCa3ScZn3(GeO3)8
Alexandria ALEXAlex-ID: agm010396306 · Space group: P2 (#3)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D3E8F24_0_spg3
CaGeO3 K4Ge9O20 Ca2Ge7O16 Zn2GeO4 Ca3Sc2(GeO4)3
2025-02-20 19:02:09
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010396306).
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 agm010396306
data_agm010396306
_cell_length_a 5.56247
_cell_length_b 9.23186
_cell_length_c 10.34472
_cell_angle_alpha 90.00000
_cell_angle_beta 105.86434
_cell_angle_gamma 90.00000
_cell_volume 510.98814
_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 0.50000 0.81550 0.50000 1.00000
Ca1 Ca 0.50000 0.29982 0.00000 1.00000
Ca2 Ca 0.00000 0.19374 0.50000 1.00000
Ca3 Ca 0.00000 0.69834 0.00000 1.00000
Sc1 Sc 0.00000 0.59530 0.50000 1.00000
Zn1 Zn 0.50000 0.40048 0.50000 1.00000
Zn2 Zn 0.50000 0.90509 0.00000 1.00000
Zn3 Zn 0.00000 0.09396 0.00000 1.00000
Ge1 Ge 0.53100 0.09952 0.71652 1.00000
Ge2 Ge 0.52181 0.59422 0.21480 1.00000
Ge3 Ge 0.46900 0.09952 0.28348 1.00000
Ge4 Ge 0.47819 0.59422 0.78520 1.00000
Ge5 Ge 0.96488 0.90728 0.28014 1.00000
Ge6 Ge 0.98235 0.40203 0.78767 1.00000
Ge7 Ge 0.03512 0.90728 0.71986 1.00000
Ge8 Ge 0.01765 0.40203 0.21233 1.00000
O1 O 0.61873 0.09347 0.89250 1.00000
O2 O 0.61936 0.57378 0.38955 1.00000
O3 O 0.38127 0.09347 0.10750 1.00000
O4 O 0.38064 0.57378 0.61045 1.00000
O5 O 0.87848 0.90686 0.10420 1.00000
O6 O 0.89426 0.41052 0.61102 1.00000
O7 O 0.12152 0.90686 0.89580 1.00000
O8 O 0.10574 0.41052 0.38898 1.00000
O9 O 0.41501 0.25994 0.63481 1.00000
O10 O 0.40716 0.75780 0.14008 1.00000
O11 O 0.58499 0.25994 0.36519 1.00000
O12 O 0.59284 0.75780 0.85992 1.00000
O13 O 0.04129 0.73864 0.35579 1.00000
O14 O 0.09553 0.23991 0.86462 1.00000
O15 O 0.95871 0.73864 0.64421 1.00000
O16 O 0.90447 0.23991 0.13538 1.00000
O17 O 0.77816 0.03227 0.64920 1.00000
O18 O 0.75483 0.52429 0.13725 1.00000
O19 O 0.22184 0.03227 0.35080 1.00000
O20 O 0.24517 0.52429 0.86275 1.00000
O21 O 0.74104 0.98656 0.35531 1.00000
O22 O 0.74376 0.47295 0.85933 1.00000
O23 O 0.25896 0.98656 0.64469 1.00000
O24 O 0.25624 0.47295 0.14067 1.00000
