Pm2MnGe6Ir
Alexandria ALEXAlex-ID: agm004965521 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_951_spg166
PmGe2Ir Pm3Ge5 Pm(MnGe)6 Ge
2022-07-27 04:29:51.877662
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004965521).
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 agm004965521
data_agm004965521
_cell_length_a 7.60700
_cell_length_b 7.60700
_cell_length_c 9.89040
_cell_angle_alpha 67.38328
_cell_angle_beta 67.38328
_cell_angle_gamma 60.00000
_cell_volume 444.09712
_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
Pm1 Pm 0.86634 0.86634 0.40099 1.00000
Pm2 Pm 0.13366 0.13366 0.59901 1.00000
Pm3 Pm 0.71687 0.71687 0.84939 1.00000
Pm4 Pm 0.28313 0.28313 0.15061 1.00000
Mn1 Mn 0.00000 0.00000 0.00000 1.00000
Mn2 Mn 0.50000 0.50000 0.50000 1.00000
Ge1 Ge 0.86367 0.38902 0.35828 1.00000
Ge2 Ge 0.38902 0.86367 0.35828 1.00000
Ge3 Ge 0.38902 0.38902 0.35828 1.00000
Ge4 Ge 0.13633 0.61098 0.64172 1.00000
Ge5 Ge 0.61098 0.13633 0.64172 1.00000
Ge6 Ge 0.61098 0.61098 0.64172 1.00000
Ge7 Ge 0.74228 0.20101 0.85571 1.00000
Ge8 Ge 0.20101 0.74228 0.85571 1.00000
Ge9 Ge 0.20101 0.20101 0.85571 1.00000
Ge10 Ge 0.25772 0.79899 0.14429 1.00000
Ge11 Ge 0.79899 0.25772 0.14429 1.00000
Ge12 Ge 0.79899 0.79899 0.14429 1.00000
Ir1 Ir 0.60855 0.60855 0.17433 1.00000
Ir2 Ir 0.39145 0.39145 0.82567 1.00000
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