Pa3Co3Ge4
Alexandria ALEXAlex-ID: agm005679850 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4_1_spg220
PaCoGe Pa(CoGe)2 PaGe3
2023-06-29 08:11:50.179870
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005679850).
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 agm005679850
data_agm005679850
_cell_length_a 7.75233
_cell_length_b 7.75233
_cell_length_c 7.75233
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47123
_cell_volume 358.65282
_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
Pa1 Pa 0.62500 0.75000 0.87500 1.00000
Pa2 Pa 0.87500 0.25000 0.62500 1.00000
Pa3 Pa 0.12500 0.37500 0.25000 1.00000
Pa4 Pa 0.37500 0.12500 0.75000 1.00000
Pa5 Pa 0.25000 0.87500 0.12500 1.00000
Pa6 Pa 0.75000 0.62500 0.37500 1.00000
Co1 Co 0.12500 0.75000 0.37500 1.00000
Co2 Co 0.37500 0.25000 0.12500 1.00000
Co3 Co 0.62500 0.87500 0.25000 1.00000
Co4 Co 0.87500 0.62500 0.75000 1.00000
Co5 Co 0.25000 0.37500 0.62500 1.00000
Co6 Co 0.75000 0.12500 0.87500 1.00000
Ge1 Ge 1.00000 1.00000 0.33620 1.00000
Ge2 Ge 0.50000 0.33620 0.50000 1.00000
Ge3 Ge 0.66380 0.16380 0.16380 1.00000
Ge4 Ge 1.00000 1.00000 0.83620 1.00000
Ge5 Ge 0.83620 0.50000 1.00000 1.00000
Ge6 Ge 0.50000 0.83620 0.50000 1.00000
Ge7 Ge 0.33620 0.50000 1.00000 1.00000
Ge8 Ge 0.16380 0.66380 0.66380 1.00000
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