Pm2Ge2H5
Alexandria ALEXAlex-ID: agm007306509 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_198_spg46
PmGeH PmH3 Ge
2025-04-29 17:13:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007306509).
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
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# CIF generated by HEAS from Alexandria entry agm007306509
data_agm007306509
_cell_length_a 4.37628
_cell_length_b 6.87541
_cell_length_c 9.33177
_cell_angle_alpha 111.46355
_cell_angle_beta 103.66230
_cell_angle_gamma 89.74078
_cell_volume 252.87172
_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 0.88066 0.27976 0.74474 1.00000
Pm2 Pm 0.11544 0.57293 0.25454 1.00000
Pm3 Pm 0.36219 0.82167 0.74708 1.00000
Pm4 Pm 0.63472 0.03169 0.25341 1.00000
Ge1 Ge 0.99381 0.77406 0.98393 1.00000
Ge2 Ge 0.50962 0.29040 0.01633 1.00000
Ge3 Ge 0.73700 0.78451 0.50046 1.00000
Ge4 Ge 0.25943 0.06832 0.49925 1.00000
H1 H 0.32902 0.25443 0.16305 1.00000
H2 H 0.69687 0.10824 0.87744 1.00000
H3 H 0.31950 0.72818 0.12246 1.00000
H4 H 0.66620 0.59218 0.83752 1.00000
H5 H 0.17452 0.10964 0.88242 1.00000
H6 H 0.83773 0.24369 0.15222 1.00000
H7 H 0.18509 0.59221 0.84807 1.00000
H8 H 0.79286 0.72451 0.11714 1.00000
H9 H 0.42071 0.62221 0.50126 1.00000
H10 H 0.58460 0.22939 0.49867 1.00000
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