Ca4Zn2InGe4
Alexandria ALEXAlex-ID: agm020044150 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D4_13_spg12
CaIn2 CaGe2 CaZnGe CaGe
2024-11-09 13:31:52.150178
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020044150).
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 agm020044150
data_agm020044150
_cell_length_a 8.42413
_cell_length_b 8.42413
_cell_length_c 7.37694
_cell_angle_alpha 72.72611
_cell_angle_beta 72.72611
_cell_angle_gamma 29.90082
_cell_volume 248.33913
_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
Ca1 Ca 0.34748 0.34748 0.92938 1.00000
Ca2 Ca 0.65252 0.65252 0.07062 1.00000
Ca3 Ca 0.41383 0.41383 0.38022 1.00000
Ca4 Ca 0.58617 0.58617 0.61978 1.00000
Zn1 Zn 0.21562 0.21562 0.37544 1.00000
Zn2 Zn 0.78438 0.78438 0.62456 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Ge1 Ge 0.05901 0.05901 0.34337 1.00000
Ge2 Ge 0.94099 0.94099 0.65663 1.00000
Ge3 Ge 0.19532 0.19532 0.75609 1.00000
Ge4 Ge 0.80468 0.80468 0.24391 1.00000
Get direct link