Ca3CdGe3
Alexandria ALEXAlex-ID: agm077835652 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_897_spg12
CaCdGe CaGe
2025-01-09 00:58:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm077835652).
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
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# CIF generated by HEAS from Alexandria entry agm077835652
data_agm077835652
_cell_length_a 5.87927
_cell_length_b 5.87927
_cell_length_c 14.65568
_cell_angle_alpha 72.82422
_cell_angle_beta 107.17578
_cell_angle_gamma 134.42440
_cell_volume 342.72973
_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 0.48078 0.51922 0.13536 1.00000
Ca2 Ca 0.51922 0.48078 0.86464 1.00000
Ca3 Ca 0.39529 0.60471 0.57394 1.00000
Ca4 Ca 0.60471 0.39529 0.42606 1.00000
Ca5 Ca 0.26758 0.73242 0.28179 1.00000
Ca6 Ca 0.73242 0.26758 0.71821 1.00000
Cd1 Cd 0.85431 0.14569 0.96743 1.00000
Cd2 Cd 0.14569 0.85431 0.03257 1.00000
Ge1 Ge 0.98207 0.01793 0.28227 1.00000
Ge2 Ge 0.01793 0.98207 0.71773 1.00000
Ge3 Ge 0.89330 0.10670 0.42769 1.00000
Ge4 Ge 0.10670 0.89330 0.57231 1.00000
Ge5 Ge 0.23456 0.76544 0.86270 1.00000
Ge6 Ge 0.76544 0.23456 0.13730 1.00000
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