GaNiPPtS
Alexandria ALEXAlex-ID: agm002124992 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCDE_1626_spg1
Ni2P Ga2S3 GaPt P2Pt PtS
2021-11-13 00:21:02.362525
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002124992).
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 agm002124992
data_agm002124992
_cell_length_a 4.05009
_cell_length_b 4.50548
_cell_length_c 4.62264
_cell_angle_alpha 80.88122
_cell_angle_beta 83.73306
_cell_angle_gamma 87.12437
_cell_volume 82.74196
_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 0.38585 0.56309 0.53355 1.00000
Ni1 Ni 0.05994 0.27904 0.27896 1.00000
P1 P 0.55141 0.06311 0.35668 1.00000
Pt1 Pt 0.75676 0.14642 0.82757 1.00000
S1 S 0.95960 0.62626 0.91524 1.00000
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