Ca2Ga10Pt
Alexandria ALEXAlex-ID: agm017755932 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C10_13_spg139
Ca4Ga18Pt Ca2Ga12Pt Ca4(Ga8Pt3)3
2024-11-05 10:31:44.711483
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017755932).
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 agm017755932
data_agm017755932
_cell_length_a 14.11866
_cell_length_b 14.11866
_cell_length_c 14.11866
_cell_angle_alpha 162.32468
_cell_angle_beta 162.32468
_cell_angle_gamma 25.09785
_cell_volume 259.37104
_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 0.35245 0.35245 0.00000 1.00000
Ca2 Ca 0.64755 0.64755 0.00000 1.00000
Ga1 Ga 0.25000 0.75000 0.50000 1.00000
Ga2 Ga 0.75000 0.25000 0.50000 1.00000
Ga3 Ga 0.44793 0.94793 0.50000 1.00000
Ga4 Ga 0.94793 0.44793 0.50000 1.00000
Ga5 Ga 0.55207 0.05207 0.50000 1.00000
Ga6 Ga 0.05207 0.55207 0.50000 1.00000
Ga7 Ga 0.10678 0.10678 0.00000 1.00000
Ga8 Ga 0.89322 0.89322 0.00000 1.00000
Ga9 Ga 0.19648 0.19648 0.00000 1.00000
Ga10 Ga 0.80352 0.80352 0.00000 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Get direct link