Pm12Ge5Cl2
Alexandria ALEXAlex-ID: agm003368331 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_37_spg12
Pm5Ge3 Pm3GeCl3 Pm
2022-02-06 17:27:35.752358
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003368331).
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 agm003368331
data_agm003368331
_cell_length_a 7.59111
_cell_length_b 9.28625
_cell_length_c 9.13252
_cell_angle_alpha 103.34326
_cell_angle_beta 90.00000
_cell_angle_gamma 114.12497
_cell_volume 568.45324
_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 0.99320 0.98640 0.18852 1.00000
Pm2 Pm 0.07821 0.66354 0.90516 1.00000
Pm3 Pm 0.58533 0.66354 0.90516 1.00000
Pm4 Pm 0.09952 0.70536 0.43344 1.00000
Pm5 Pm 0.60584 0.70536 0.43344 1.00000
Pm6 Pm 0.49500 0.99000 0.73263 1.00000
Pm7 Pm 0.50500 0.01000 0.26737 1.00000
Pm8 Pm 0.90048 0.29464 0.56656 1.00000
Pm9 Pm 0.39416 0.29464 0.56656 1.00000
Pm10 Pm 0.92179 0.33646 0.09484 1.00000
Pm11 Pm 0.41467 0.33646 0.09484 1.00000
Pm12 Pm 0.00680 0.01360 0.81148 1.00000
Ge1 Ge 0.30246 0.60493 0.64862 1.00000
Ge2 Ge 0.31992 0.63985 0.15940 1.00000
Ge3 Ge 0.00000 0.00000 0.50000 1.00000
Ge4 Ge 0.68008 0.36015 0.84060 1.00000
Ge5 Ge 0.69754 0.39507 0.35138 1.00000
Cl1 Cl 0.70921 0.00000 0.00000 1.00000
Cl2 Cl 0.29079 1.00000 1.00000 1.00000
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