Ca3(GaAg)4
Alexandria ALEXAlex-ID: agm005695544 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_25_spg71
CaGaAg Ca4Ga7Ag5 Ca2Ag7
2023-07-01 23:39:42.092661
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695544).
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 agm005695544
data_agm005695544
_cell_length_a 3.72889
_cell_length_b 4.62296
_cell_length_c 14.24676
_cell_angle_alpha 80.16655
_cell_angle_beta 82.45431
_cell_angle_gamma 89.93478
_cell_volume 239.83251
_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 0.14299 0.64378 0.71470 1.00000
Ca2 Ca 0.85704 0.35625 0.28530 1.00000
Ca3 Ca 0.00002 0.00002 0.99999 1.00000
Ga1 Ga 0.54617 0.54702 0.90694 1.00000
Ga2 Ga 0.45387 0.45303 0.09302 1.00000
Ga3 Ga 0.31066 0.81009 0.37771 1.00000
Ga4 Ga 0.68936 0.18992 0.62232 1.00000
Ag1 Ag 0.59432 0.09590 0.81225 1.00000
Ag2 Ag 0.26016 0.25817 0.48036 1.00000
Ag3 Ag 0.73985 0.74184 0.51967 1.00000
Ag4 Ag 0.40571 0.90414 0.18774 1.00000
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