Ca2Ag3Ge
Alexandria ALEXAlex-ID: agm005809306 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_769_spg69
CaAg2 CaAgGe
2023-08-07 06:24:06.920461
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809306).
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 agm005809306
data_agm005809306
_cell_length_a 5.92983
_cell_length_b 5.92983
_cell_length_c 8.94418
_cell_angle_alpha 104.65305
_cell_angle_beta 104.65305
_cell_angle_gamma 103.70285
_cell_volume 278.75459
_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 0.25000 0.75000 0.50000 1.00000
Ca2 Ca 0.75620 0.75620 0.00000 1.00000
Ca3 Ca 0.75000 0.25000 0.50000 1.00000
Ca4 Ca 0.24380 0.24380 1.00000 1.00000
Ag1 Ag 0.34195 0.82788 0.16983 1.00000
Ag2 Ag 0.17212 0.65805 0.83017 1.00000
Ag3 Ag 0.65805 0.17212 0.83017 1.00000
Ag4 Ag 0.82788 0.34195 0.16983 1.00000
Ag5 Ag 0.17110 0.17110 0.34220 1.00000
Ag6 Ag 0.82890 0.82890 0.65780 1.00000
Ge1 Ge 0.66566 0.66566 0.33132 1.00000
Ge2 Ge 0.33434 0.33434 0.66868 1.00000
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