CaGePt2
Alexandria ALEXAlex-ID: agm002811702 · Space group: I-42d (#122)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_139_spg141
CaGe2Pt3 Ca4Ge6Pt7 CaPt2
2016-12-27 02:36:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002811702).
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 agm002811702
data_agm002811702
_cell_length_a 5.01967
_cell_length_b 5.01967
_cell_length_c 8.91343
_cell_angle_alpha 73.64555
_cell_angle_beta 73.64555
_cell_angle_gamma 90.00000
_cell_volume 206.01685
_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
Ge1 Ge 0.00000 0.00000 0.00000 1.00000
Ge2 Ge 0.75000 0.25000 0.50000 1.00000
Ca1 Ca 0.50000 0.50000 0.00000 1.00000
Ca2 Ca 0.25000 0.75000 0.50000 1.00000
Pt1 Pt 0.81585 0.12500 0.25000 1.00000
Pt2 Pt 0.93415 0.62500 0.25000 1.00000
Pt3 Pt 0.37500 0.18415 0.75000 1.00000
Pt4 Pt 0.87500 0.06585 0.75000 1.00000
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