Ca3PtAu2
Alexandria ALEXAlex-ID: agm005707104 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_906_spg65
Ca2PtAu CaAu
2023-08-29 12:04:57.567892
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707104).
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 agm005707104
data_agm005707104
_cell_length_a 5.06317
_cell_length_b 7.98713
_cell_length_c 7.24726
_cell_angle_alpha 90.00148
_cell_angle_beta 90.00466
_cell_angle_gamma 71.52094
_cell_volume 277.96907
_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 0.83030 0.33996 0.76070 1.00000
Ca2 Ca 0.49969 0.00000 0.24358 1.00000
Ca3 Ca 0.16970 0.66004 0.23930 1.00000
Ca4 Ca 0.82973 0.33996 0.23930 1.00000
Ca5 Ca 0.17027 0.66004 0.76070 1.00000
Ca6 Ca 0.50031 0.00000 0.75642 1.00000
Pt1 Pt 0.33583 0.32835 0.00000 1.00000
Pt2 Pt 0.66417 0.67165 0.00000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.00000 0.00000 0.50000 1.00000
Au3 Au 0.33433 0.33135 0.50000 1.00000
Au4 Au 0.66567 0.66865 0.50000 1.00000
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