Pa2Ge2Mo3
Alexandria ALEXAlex-ID: agm005556830 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_506_spg12
PaGeMo Mo
2023-06-12 03:11:25.114578
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005556830).
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 agm005556830
data_agm005556830
_cell_length_a 4.29964
_cell_length_b 5.68293
_cell_length_c 6.37659
_cell_angle_alpha 74.93012
_cell_angle_beta 89.96991
_cell_angle_gamma 67.74109
_cell_volume 138.40022
_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 0.60321 0.79387 0.30714 1.00000
Pa2 Pa 0.39679 0.20613 0.69286 1.00000
Ge1 Ge 0.11093 0.77840 0.67082 1.00000
Ge2 Ge 0.88907 0.22160 0.32918 1.00000
Mo1 Mo 0.29185 0.41644 0.10351 1.00000
Mo2 Mo 0.00000 0.00000 0.00000 1.00000
Mo3 Mo 0.70815 0.58356 0.89649 1.00000
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