Ca3Cu3Ge
Alexandria ALEXAlex-ID: agm005924944 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_675_spg12
CaCu5 CaCu Ca2Ge
2023-08-04 18:27:47.361377
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005924944).
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 agm005924944
data_agm005924944
_cell_length_a 4.30701
_cell_length_b 5.72656
_cell_length_c 13.77528
_cell_angle_alpha 85.71394
_cell_angle_beta 81.00601
_cell_angle_gamma 67.91046
_cell_volume 310.90128
_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 0.53980 0.30957 0.61083 1.00000
Ca2 Ca 0.46020 0.69043 0.38917 1.00000
Ca3 Ca 0.24398 0.27958 0.23245 1.00000
Ca4 Ca 0.75602 0.72042 0.76755 1.00000
Ca5 Ca 0.39441 0.28881 0.92236 1.00000
Ca6 Ca 0.60559 0.71119 0.07764 1.00000
Cu1 Cu 0.85977 0.73978 0.54068 1.00000
Cu2 Cu 0.14023 0.26022 0.45932 1.00000
Cu3 Cu 0.09717 0.88326 0.92240 1.00000
Cu4 Cu 0.90283 0.11674 0.07760 1.00000
Cu5 Cu 0.94598 0.87440 0.23364 1.00000
Cu6 Cu 0.05402 0.12560 0.76636 1.00000
Ge1 Ge 0.74966 0.10918 0.39151 1.00000
Ge2 Ge 0.25034 0.89082 0.60849 1.00000
Get direct link