Pa(CrGe)2
Alexandria ALEXAlex-ID: agm005952182 · Space group: Fmmm (#69)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_193_spg69
Pa5Ge4 Cr3Ge PaGe2
2023-08-03 14:52:53.863787
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005952182).
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 agm005952182
data_agm005952182
_cell_length_a 4.47240
_cell_length_b 4.47236
_cell_length_c 5.15408
_cell_angle_alpha 107.96145
_cell_angle_beta 107.96421
_cell_angle_gamma 106.80807
_cell_volume 84.45795
_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 0.50000 0.00000 0.50000 1.00000
Cr1 Cr 0.88228 0.38230 0.26429 1.00000
Cr2 Cr 0.11772 0.61770 0.73571 1.00000
Ge1 Ge 0.75004 0.75002 0.00002 1.00000
Ge2 Ge 0.24996 0.24998 0.99998 1.00000
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