Ca2Ga3Ge4
Alexandria ALEXAlex-ID: agm003333889 · Space group: Cmce (#64)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_75_spg64
CaGaGe CaGa4 Ge
2022-01-27 00:34:34.220365
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003333889).
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 agm003333889
data_agm003333889
_cell_length_a 5.97645
_cell_length_b 8.09957
_cell_length_c 8.26176
_cell_angle_alpha 90.00000
_cell_angle_beta 111.20425
_cell_angle_gamma 90.00000
_cell_volume 372.84849
_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 0.11458 0.57993 0.22916 1.00000
Ca2 Ca 0.88542 0.42007 0.77084 1.00000
Ca3 Ca 0.38542 0.07993 0.77084 1.00000
Ca4 Ca 0.61458 0.92007 0.22916 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
Ga2 Ga 0.50000 0.50000 0.00000 1.00000
Ga3 Ga 0.53123 0.75000 0.56246 1.00000
Ga4 Ga 0.96877 0.25000 0.43754 1.00000
Ga5 Ga 0.46877 0.25000 0.43754 1.00000
Ga6 Ga 0.03123 0.75000 0.56246 1.00000
Ge1 Ge 0.69879 0.75000 0.89758 1.00000
Ge2 Ge 0.80121 0.25000 0.10242 1.00000
Ge3 Ge 0.30121 0.25000 0.10242 1.00000
Ge4 Ge 0.19879 0.75000 0.89758 1.00000
Ge5 Ge 0.18399 0.95169 0.36798 1.00000
Ge6 Ge 0.81601 0.04831 0.63202 1.00000
Ge7 Ge 0.31601 0.45169 0.63202 1.00000
Ge8 Ge 0.68399 0.54831 0.36798 1.00000
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