YGePt2
Alexandria ALEXAlex-ID: agm005678448 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_547_spg62
YGePt2
2023-07-12 04:02:01.031181
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678448).
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 agm005678448
data_agm005678448
_cell_length_a 5.52603
_cell_length_b 7.16383
_cell_length_c 14.92946
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 591.02037
_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
Y1 Y 0.48024 0.25000 0.13664 1.00000
Y2 Y 0.98024 0.75000 0.36336 1.00000
Y3 Y 0.51976 0.75000 0.86336 1.00000
Y4 Y 0.01976 0.25000 0.63664 1.00000
Y5 Y 0.75450 0.25000 0.38894 1.00000
Y6 Y 0.25450 0.75000 0.11106 1.00000
Y7 Y 0.24550 0.75000 0.61106 1.00000
Y8 Y 0.74550 0.25000 0.88894 1.00000
Ge1 Ge 0.24560 0.25000 0.31798 1.00000
Ge2 Ge 0.74560 0.75000 0.18202 1.00000
Ge3 Ge 0.75440 0.75000 0.68202 1.00000
Ge4 Ge 0.25440 0.25000 0.81798 1.00000
Ge5 Ge 0.97502 0.25000 0.06847 1.00000
Ge6 Ge 0.47502 0.75000 0.43153 1.00000
Ge7 Ge 0.02498 0.75000 0.93153 1.00000
Ge8 Ge 0.52498 0.25000 0.56847 1.00000
Pt1 Pt 0.95768 0.05255 0.21725 1.00000
Pt2 Pt 0.45768 0.94745 0.28275 1.00000
Pt3 Pt 0.04232 0.55255 0.78275 1.00000
Pt4 Pt 0.54232 0.44745 0.71725 1.00000
Pt5 Pt 0.04232 0.94745 0.78275 1.00000
Pt6 Pt 0.54232 0.05255 0.71725 1.00000
Pt7 Pt 0.95768 0.44745 0.21725 1.00000
Pt8 Pt 0.45768 0.55255 0.28275 1.00000
Pt9 Pt 0.73848 0.54969 0.03126 1.00000
Pt10 Pt 0.23848 0.45031 0.46874 1.00000
Pt11 Pt 0.26152 0.04969 0.96874 1.00000
Pt12 Pt 0.76152 0.95031 0.53126 1.00000
Pt13 Pt 0.26152 0.45031 0.96874 1.00000
Pt14 Pt 0.76152 0.54969 0.53126 1.00000
Pt15 Pt 0.73848 0.95031 0.03126 1.00000
Pt16 Pt 0.23848 0.04969 0.46874 1.00000
