GaGePt6
Alexandria ALEXAlex-ID: agm005752496 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_674_spg12
GaGePt6
2023-07-24 21:22:28.582055
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752496).
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 agm005752496
data_agm005752496
_cell_length_a 4.95114
_cell_length_b 4.95125
_cell_length_c 6.26691
_cell_angle_alpha 112.24336
_cell_angle_beta 98.19217
_cell_angle_gamma 109.90758
_cell_volume 127.03230
_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
Ga1 Ga 0.50000 0.50000 0.00000 1.00000
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.65056 0.09607 0.24298 1.00000
Pt2 Pt 0.85303 0.40764 0.75701 1.00000
Pt3 Pt 0.25127 0.24607 0.49743 1.00000
Pt4 Pt 0.14697 0.59236 0.24299 1.00000
Pt5 Pt 0.34944 0.90393 0.75702 1.00000
Pt6 Pt 0.74873 0.75393 0.50257 1.00000
Get direct link