Ca5Ga15Cu4Pd
Alexandria ALEXAlex-ID: agm021362972 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D15_10_spg107
CaGa3Cu Ca2Ga5Pd3 Ca2(Ga3Pd)3 CaGa2
2024-12-25 20:15:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021362972).
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 agm021362972
data_agm021362972
_cell_length_a 4.23803
_cell_length_b 4.23803
_cell_length_c 26.99262
_cell_angle_alpha 85.21736
_cell_angle_beta 94.78264
_cell_angle_gamma 90.21854
_cell_volume 481.43841
_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 0.99883 0.00117 0.99677 1.00000
Ca2 Ca 0.39887 0.60113 0.79803 1.00000
Ca3 Ca 0.80002 0.19998 0.60005 1.00000
Ca4 Ca 0.20141 0.79859 0.40266 1.00000
Ca5 Ca 0.60092 0.39908 0.20015 1.00000
Ga1 Ga 0.94717 0.54896 0.89976 1.00000
Ga2 Ga 0.34742 0.14754 0.70136 1.00000
Ga3 Ga 0.74914 0.74628 0.50327 1.00000
Ga4 Ga 0.15078 0.34536 0.30539 1.00000
Ga5 Ga 0.54955 0.94786 0.09858 1.00000
Ga6 Ga 0.45104 0.05283 0.89976 1.00000
Ga7 Ga 0.85246 0.65258 0.70136 1.00000
Ga8 Ga 0.25372 0.25086 0.50327 1.00000
Ga9 Ga 0.65464 0.84922 0.30539 1.00000
Ga10 Ga 0.05214 0.45045 0.09858 1.00000
Ga11 Ga 0.91921 0.08079 0.83903 1.00000
Ga12 Ga 0.32091 0.67909 0.64065 1.00000
Ga13 Ga 0.72232 0.27768 0.44284 1.00000
Ga14 Ga 0.12250 0.87750 0.24402 1.00000
Ga15 Ga 0.51969 0.48031 0.03811 1.00000
Cu1 Cu 0.47297 0.52703 0.94852 1.00000
Cu2 Cu 0.87294 0.12706 0.74973 1.00000
Cu3 Cu 0.27442 0.72558 0.55133 1.00000
Cu4 Cu 0.67618 0.32382 0.35366 1.00000
Pd1 Pd 0.07756 0.92244 0.15113 1.00000
